N-[2-[6-anilino-7-oxo-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-2-yl]phenyl]methanesulfonamide;2-(2,4-dihydroxyphenyl)-4-methoxy-6-(pyridin-2-ylamino)benzo[e]perimidin-7-one;N-[4,5-dimethoxy-2-[6-(4-methoxyanilino)-7-oxo-4-phenoxybenzo[e]perimidin-2-yl]phenyl]methanesulfonamide;ethane;N-[2-[6-(4-methylanilino)-7-oxo-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-2-yl]phenyl]methanesulfonamide

C157H154N16O19S3 — CID 161485375

IUPACN-[2-[6-anilino-7-oxo-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-2-yl]phenyl]methanesulfonamide;2-(2,4-dihydroxyphenyl)-4-methoxy-6-(pyridin-2-ylamino)benzo[e]perimidin-7-one;N-[4,5-dimethoxy-2-[6-(4-methoxyanilino)-7-oxo-4-phenoxybenzo[e]perimidin-2-yl]phenyl]methanesulfonamide;ethane;N-[2-[6-(4-methylanilino)-7-oxo-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-2-yl]phenyl]methanesulfonamide
SMILESCC.CC.CC.CC.CC(C)(C)CC(C)(C)c1ccc(Oc2cc(Nc3ccccc3)c3c4c(nc(-c5ccccc5NS(C)(=O)=O)nc24)-c2ccccc2C3=O)cc1.COc1cc(Nc2ccccn2)c2c3c(nc(-c4ccc(O)cc4O)nc13)-c1ccccc1C2=O.COc1ccc(Nc2cc(Oc3ccccc3)c3nc(-c4cc(OC)c(OC)cc4NS(C)(=O)=O)nc4c3c2C(=O)c2ccccc2-4)cc1.Cc1ccc(Nc2cc(Oc3ccc(C(C)(C)CC(C)(C)C)cc3)c3nc(-c4ccccc4NS(C)(=O)=O)nc4c3c2C(=O)c2ccccc2-4)cc1
InChIInChI=1S/C43H42N4O4S.C42H40N4O4S.C37H30N4O7S.C27H18N4O4.4C2H6/c1-26-16-20-28(21-17-26)44-34-24-35(51-29-22-18-27(19-23-29)43(5,6)25-42(2,3)4)39-37-36(34)40(48)31-13-9-8-12-30(31)38(37)45-41(46-39)32-14-10-11-15-33(32)47-52(7,49)50;1-41(2,3)25-42(4,5)26-20-22-28(23-21-26)50-34-24-33(43-27-14-8-7-9-15-27)35-36-37(29-16-10-11-17-30(29)39(35)47)44-40(45-38(34)36)31-18-12-13-19-32(31)46-51(6,48)49;1-45-22-16-14-21(15-17-22)38-28-20-31(48-23-10-6-5-7-11-23)35-33-32(28)36(42)25-13-9-8-12-24(25)34(33)39-37(40-35)26-18-29(46-2)30(47-3)19-27(26)41-49(4,43)44;1-35-20-13-18(29-21-8-4-5-11-28-21)22-23-24(15-6-2-3-7-16(15)26(22)34)30-27(31-25(20)23)17-10-9-14(32)12-19(17)33;4*1-2/h8-24,44,47H,25H2,1-7H3;7-24,43,46H,25H2,1-6H3;5-20,38,41H,1-4H3;2-13,32-33H,1H3,(H,28,29);4*1-2H3
InChIKeyWEXHHNWHILNCHK-UHFFFAOYSA-N
MW2665.25 g/mol
LogP37.18
Rot. Bonds32

About N-[2-[6-anilino-7-oxo-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-2-yl]phenyl]methanesulfonamide;2-(2,4-dihydroxyphenyl)-4-methoxy-6-(pyridin-2-ylamino)benzo[e]perimidin-7-one;N-[4,5-dimethoxy-2-[6-(4-methoxyanilino)-7-oxo-4-phenoxybenzo[e]perimidin-2-yl]phenyl]methanesulfonamide;ethane;N-[2-[6-(4-methylanilino)-7-oxo-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-2-yl]phenyl]methanesulfonamide

N-[2-[6-anilino-7-oxo-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-2-yl]phenyl]methanesulfonamide;2-(2,4-dihydroxyphenyl)-4-methoxy-6-(pyridin-2-ylamino)benzo[e]perimidin-7-one;N-[4,5-dimethoxy-2-[6-(4-methoxyanilino)-7-oxo-4-phenoxybenzo[e]perimidin-2-yl]phenyl]methanesulfonamide;ethane;N-[2-[6-(4-methylanilino)-7-oxo-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-2-yl]phenyl]methanesulfonamide (PubChem CID 161485375) has the molecular formula C157H154N16O19S3 and a molecular weight of 2665.25 g/mol. Its IUPAC name is N-[2-[6-anilino-7-oxo-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-2-yl]phenyl]methanesulfonamide;2-(2,4-dihydroxyphenyl)-4-methoxy-6-(pyridin-2-ylamino)benzo[e]perimidin-7-one;N-[4,5-dimethoxy-2-[6-(4-methoxyanilino)-7-oxo-4-phenoxybenzo[e]perimidin-2-yl]phenyl]methanesulfonamide;ethane;N-[2-[6-(4-methylanilino)-7-oxo-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-2-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[6-anilino-7-oxo-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-2-yl]phenyl]methanesulfonamide;2-(2,4-dihydroxyphenyl)-4-methoxy-6-(pyridin-2-ylamino)benzo[e]perimidin-7-one;N-[4,5-dimethoxy-2-[6-(4-methoxyanilino)-7-oxo-4-phenoxybenzo[e]perimidin-2-yl]phenyl]methanesulfonamide;ethane;N-[2-[6-(4-methylanilino)-7-oxo-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-2-yl]phenyl]methanesulfonamide
PubChem CID161485375
Molecular FormulaC157H154N16O19S3
Molecular Weight2665.25 g/mol
Exact Mass2663.07
IUPAC NameN-[2-[6-anilino-7-oxo-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-2-yl]phenyl]methanesulfonamide;2-(2,4-dihydroxyphenyl)-4-methoxy-6-(pyridin-2-ylamino)benzo[e]perimidin-7-one;N-[4,5-dimethoxy-2-[6-(4-methoxyanilino)-7-oxo-4-phenoxybenzo[e]perimidin-2-yl]phenyl]methanesulfonamide;ethane;N-[2-[6-(4-methylanilino)-7-oxo-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-2-yl]phenyl]methanesulfonamide
SMILESCC.CC.CC.CC.CC(C)(C)CC(C)(C)c1ccc(Oc2cc(Nc3ccccc3)c3c4c(nc(-c5ccccc5NS(C)(=O)=O)nc24)-c2ccccc2C3=O)cc1.COc1cc(Nc2ccccn2)c2c3c(nc(-c4ccc(O)cc4O)nc13)-c1ccccc1C2=O.COc1ccc(Nc2cc(Oc3ccccc3)c3nc(-c4cc(OC)c(OC)cc4NS(C)(=O)=O)nc4c3c2C(=O)c2ccccc2-4)cc1.Cc1ccc(Nc2cc(Oc3ccc(C(C)(C)CC(C)(C)C)cc3)c3nc(-c4ccccc4NS(C)(=O)=O)nc4c3c2C(=O)c2ccccc2-4)cc1
InChIInChI=1S/C43H42N4O4S.C42H40N4O4S.C37H30N4O7S.C27H18N4O4.4C2H6/c1-26-16-20-28(21-17-26)44-34-24-35(51-29-22-18-27(19-23-29)43(5,6)25-42(2,3)4)39-37-36(34)40(48)31-13-9-8-12-30(31)38(37)45-41(46-39)32-14-10-11-15-33(32)47-52(7,49)50;1-41(2,3)25-42(4,5)26-20-22-28(23-21-26)50-34-24-33(43-27-14-8-7-9-15-27)35-36-37(29-16-10-11-17-30(29)39(35)47)44-40(45-38(34)36)31-18-12-13-19-32(31)46-51(6,48)49;1-45-22-16-14-21(15-17-22)38-28-20-31(48-23-10-6-5-7-11-23)35-33-32(28)36(42)25-13-9-8-12-24(25)34(33)39-37(40-35)26-18-29(46-2)30(47-3)19-27(26)41-49(4,43)44;1-35-20-13-18(29-21-8-4-5-11-28-21)22-23-24(15-6-2-3-7-16(15)26(22)34)30-27(31-25(20)23)17-10-9-14(32)12-19(17)33;4*1-2/h8-24,44,47H,25H2,1-7H3;7-24,43,46H,25H2,1-6H3;5-20,38,41H,1-4H3;2-13,32-33H,1H3,(H,28,29);4*1-2H3
InChIKeyWEXHHNWHILNCHK-UHFFFAOYSA-N
XLogP37.18
TPSA475.99 Ų
H-Bond Donors9
H-Bond Acceptors32
Rotatable Bonds32
Heavy Atoms195
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002665.25
LogP ≤ 537.18
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

Analyze N-[2-[6-anilino-7-oxo-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-2-yl]phenyl]methanesulfonamide;2-(2,4-dihydroxyphenyl)-4-methoxy-6-(pyridin-2-ylamino)benzo[e]perimidin-7-one;N-[4,5-dimethoxy-2-[6-(4-methoxyanilino)-7-oxo-4-phenoxybenzo[e]perimidin-2-yl]phenyl]methanesulfonamide;ethane;N-[2-[6-(4-methylanilino)-7-oxo-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-2-yl]phenyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-anilino-7-oxo-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-2-yl]phenyl]methanesulfonamide;2-(2,4-dihydroxyphenyl)-4-methoxy-6-(pyridin-2-ylamino)benzo[e]perimidin-7-one;N-[4,5-dimethoxy-2-[6-(4-methoxyanilino)-7-oxo-4-phenoxybenzo[e]perimidin-2-yl]phenyl]methanesulfonamide;ethane;N-[2-[6-(4-methylanilino)-7-oxo-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-2-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-[6-anilino-7-oxo-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-2-yl]phenyl]methanesulfonamide;2-(2,4-dihydroxyphenyl)-4-methoxy-6-(pyridin-2-ylamino)benzo[e]perimidin-7-one;N-[4,5-dimethoxy-2-[6-(4-methoxyanilino)-7-oxo-4-phenoxybenzo[e]perimidin-2-yl]phenyl]methanesulfonamide;ethane;N-[2-[6-(4-methylanilino)-7-oxo-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-2-yl]phenyl]methanesulfonamide (CID 161485375) is N-[2-[6-anilino-7-oxo-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-2-yl]phenyl]methanesulfonamide;2-(2,4-dihydroxyphenyl)-4-methoxy-6-(pyridin-2-ylamino)benzo[e]perimidin-7-one;N-[4,5-dimethoxy-2-[6-(4-methoxyanilino)-7-oxo-4-phenoxybenzo[e]perimidin-2-yl]phenyl]methanesulfonamide;ethane;N-[2-[6-(4-methylanilino)-7-oxo-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-2-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[6-anilino-7-oxo-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-2-yl]phenyl]methanesulfonamide;2-(2,4-dihydroxyphenyl)-4-methoxy-6-(pyridin-2-ylamino)benzo[e]perimidin-7-one;N-[4,5-dimethoxy-2-[6-(4-methoxyanilino)-7-oxo-4-phenoxybenzo[e]perimidin-2-yl]phenyl]methanesulfonamide;ethane;N-[2-[6-(4-methylanilino)-7-oxo-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-2-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[6-anilino-7-oxo-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-2-yl]phenyl]methanesulfonamide;2-(2,4-dihydroxyphenyl)-4-methoxy-6-(pyridin-2-ylamino)benzo[e]perimidin-7-one;N-[4,5-dimethoxy-2-[6-(4-methoxyanilino)-7-oxo-4-phenoxybenzo[e]perimidin-2-yl]phenyl]methanesulfonamide;ethane;N-[2-[6-(4-methylanilino)-7-oxo-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-2-yl]phenyl]methanesulfonamide is CC.CC.CC.CC.CC(C)(C)CC(C)(C)c1ccc(Oc2cc(Nc3ccccc3)c3c4c(nc(-c5ccccc5NS(C)(=O)=O)nc24)-c2ccccc2C3=O)cc1.COc1cc(Nc2ccccn2)c2c3c(nc(-c4ccc(O)cc4O)nc13)-c1ccccc1C2=O.COc1ccc(Nc2cc(Oc3ccccc3)c3nc(-c4cc(OC)c(OC)cc4NS(C)(=O)=O)nc4c3c2C(=O)c2ccccc2-4)cc1.Cc1ccc(Nc2cc(Oc3ccc(C(C)(C)CC(C)(C)C)cc3)c3nc(-c4ccccc4NS(C)(=O)=O)nc4c3c2C(=O)c2ccccc2-4)cc1.
What is the InChIKey of N-[2-[6-anilino-7-oxo-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-2-yl]phenyl]methanesulfonamide;2-(2,4-dihydroxyphenyl)-4-methoxy-6-(pyridin-2-ylamino)benzo[e]perimidin-7-one;N-[4,5-dimethoxy-2-[6-(4-methoxyanilino)-7-oxo-4-phenoxybenzo[e]perimidin-2-yl]phenyl]methanesulfonamide;ethane;N-[2-[6-(4-methylanilino)-7-oxo-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-2-yl]phenyl]methanesulfonamide?
The InChIKey is WEXHHNWHILNCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H42N4O4S.C42H40N4O4S.C37H30N4O7S.C27H18N4O4.4C2H6/c1-26-16-20-28(21-17-26)44-34-24-35(51-29-22-18-27(19-23-29)43(5,6)25-42(2,3)4)39-37-36(34)40(48)31-13-9-8-12-30(31)38(37)45-41(46-39)32-14-10-11-15-33(32)47-52(7,49)50;1-41(2,3)25-42(4,5)26-20-22-28(23-21-26)50-34-24-33(43-27-14-8-7-9-15-27)35-36-37(29-16-10-11-17-30(29)39(35)47)44-40(45-38(34)36)31-18-12-13-19-32(31)46-51(6,48)49;1-45-22-16-14-21(15-17-22)38-28-20-31(48-23-10-6-5-7-11-23)35-33-32(28)36(42)25-13-9-8-12-24(25)34(33)39-37(40-35)26-18-29(46-2)30(47-3)19-27(26)41-49(4,43)44;1-35-20-13-18(29-21-8-4-5-11-28-21)22-23-24(15-6-2-3-7-16(15)26(22)34)30-27(31-25(20)23)17-10-9-14(32)12-19(17)33;4*1-2/h8-24,44,47H,25H2,1-7H3;7-24,43,46H,25H2,1-6H3;5-20,38,41H,1-4H3;2-13,32-33H,1H3,(H,28,29);4*1-2H3.
What are the key properties of N-[2-[6-anilino-7-oxo-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-2-yl]phenyl]methanesulfonamide;2-(2,4-dihydroxyphenyl)-4-methoxy-6-(pyridin-2-ylamino)benzo[e]perimidin-7-one;N-[4,5-dimethoxy-2-[6-(4-methoxyanilino)-7-oxo-4-phenoxybenzo[e]perimidin-2-yl]phenyl]methanesulfonamide;ethane;N-[2-[6-(4-methylanilino)-7-oxo-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-2-yl]phenyl]methanesulfonamide?
N-[2-[6-anilino-7-oxo-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-2-yl]phenyl]methanesulfonamide;2-(2,4-dihydroxyphenyl)-4-methoxy-6-(pyridin-2-ylamino)benzo[e]perimidin-7-one;N-[4,5-dimethoxy-2-[6-(4-methoxyanilino)-7-oxo-4-phenoxybenzo[e]perimidin-2-yl]phenyl]methanesulfonamide;ethane;N-[2-[6-(4-methylanilino)-7-oxo-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-2-yl]phenyl]methanesulfonamide has a molecular weight of 2665.25 g/mol, XLogP of 37.18, 32 rotatable bonds, 9 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-anilino-7-oxo-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-2-yl]phenyl]methanesulfonamide;2-(2,4-dihydroxyphenyl)-4-methoxy-6-(pyridin-2-ylamino)benzo[e]perimidin-7-one;N-[4,5-dimethoxy-2-[6-(4-methoxyanilino)-7-oxo-4-phenoxybenzo[e]perimidin-2-yl]phenyl]methanesulfonamide;ethane;N-[2-[6-(4-methylanilino)-7-oxo-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzo[e]perimidin-2-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 161485375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).