N-(3-aminophenyl)acetamide;N-[3-[[3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-6,8-dimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl]amino]phenyl]acetamide;[3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-6,8-dimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl] 4-methylbenzenesulfonate;methane

C64H74F2I2N10O11S — CID 160800004

IUPACN-(3-aminophenyl)acetamide;N-[3-[[3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-6,8-dimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl]amino]phenyl]acetamide;[3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-6,8-dimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl] 4-methylbenzenesulfonate;methane
SMILESC.C.C.C.C.CC(=O)Nc1cccc(N)c1.CC(=O)Nc1cccc(Nc2c(C)c(=O)n(C)c3c2c(=O)n(C2CC2)c(=O)n3-c2ccc(I)cc2F)c1.Cc1ccc(S(=O)(=O)Oc2c(C)c(=O)n(C)c3c2c(=O)n(C2CC2)c(=O)n3-c2ccc(I)cc2F)cc1
InChIInChI=1S/C26H23FIN5O4.C25H21FIN3O6S.C8H10N2O.5CH4/c1-13-22(30-17-6-4-5-16(12-17)29-14(2)34)21-23(31(3)24(13)35)33(20-10-7-15(28)11-19(20)27)26(37)32(25(21)36)18-8-9-18;1-13-4-9-17(10-5-13)37(34,35)36-21-14(2)23(31)28(3)22-20(21)24(32)29(16-7-8-16)25(33)30(22)19-11-6-15(27)12-18(19)26;1-6(11)10-8-4-2-3-7(9)5-8;;;;;/h4-7,10-12,18,30H,8-9H2,1-3H3,(H,29,34);4-6,9-12,16H,7-8H2,1-3H3;2-5H,9H2,1H3,(H,10,11);5*1H4
InChIKeySCYHWDKEHBZZFQ-UHFFFAOYSA-N
MW1483.23 g/mol
LogP11.66
Rot. Bonds11

About N-(3-aminophenyl)acetamide;N-[3-[[3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-6,8-dimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl]amino]phenyl]acetamide;[3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-6,8-dimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl] 4-methylbenzenesulfonate;methane

N-(3-aminophenyl)acetamide;N-[3-[[3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-6,8-dimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl]amino]phenyl]acetamide;[3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-6,8-dimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl] 4-methylbenzenesulfonate;methane (PubChem CID 160800004) has the molecular formula C64H74F2I2N10O11S and a molecular weight of 1483.23 g/mol. Its IUPAC name is N-(3-aminophenyl)acetamide;N-[3-[[3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-6,8-dimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl]amino]phenyl]acetamide;[3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-6,8-dimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl] 4-methylbenzenesulfonate;methane.

Molecular Properties

Compound NameN-(3-aminophenyl)acetamide;N-[3-[[3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-6,8-dimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl]amino]phenyl]acetamide;[3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-6,8-dimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl] 4-methylbenzenesulfonate;methane
PubChem CID160800004
Molecular FormulaC64H74F2I2N10O11S
Molecular Weight1483.23 g/mol
Exact Mass1482.33
IUPAC NameN-(3-aminophenyl)acetamide;N-[3-[[3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-6,8-dimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl]amino]phenyl]acetamide;[3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-6,8-dimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl] 4-methylbenzenesulfonate;methane
SMILESC.C.C.C.C.CC(=O)Nc1cccc(N)c1.CC(=O)Nc1cccc(Nc2c(C)c(=O)n(C)c3c2c(=O)n(C2CC2)c(=O)n3-c2ccc(I)cc2F)c1.Cc1ccc(S(=O)(=O)Oc2c(C)c(=O)n(C)c3c2c(=O)n(C2CC2)c(=O)n3-c2ccc(I)cc2F)cc1
InChIInChI=1S/C26H23FIN5O4.C25H21FIN3O6S.C8H10N2O.5CH4/c1-13-22(30-17-6-4-5-16(12-17)29-14(2)34)21-23(31(3)24(13)35)33(20-10-7-15(28)11-19(20)27)26(37)32(25(21)36)18-8-9-18;1-13-4-9-17(10-5-13)37(34,35)36-21-14(2)23(31)28(3)22-20(21)24(32)29(16-7-8-16)25(33)30(22)19-11-6-15(27)12-18(19)26;1-6(11)10-8-4-2-3-7(9)5-8;;;;;/h4-7,10-12,18,30H,8-9H2,1-3H3,(H,29,34);4-6,9-12,16H,7-8H2,1-3H3;2-5H,9H2,1H3,(H,10,11);5*1H4
InChIKeySCYHWDKEHBZZFQ-UHFFFAOYSA-N
XLogP11.66
TPSA271.62 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds11
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001483.23
LogP ≤ 511.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze N-(3-aminophenyl)acetamide;N-[3-[[3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-6,8-dimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl]amino]phenyl]acetamide;[3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-6,8-dimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl] 4-methylbenzenesulfonate;methane 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-(3-aminophenyl)acetamide;N-[3-[[3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-6,8-dimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl]amino]phenyl]acetamide;[3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-6,8-dimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl] 4-methylbenzenesulfonate;methane?
The IUPAC name of N-(3-aminophenyl)acetamide;N-[3-[[3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-6,8-dimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl]amino]phenyl]acetamide;[3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-6,8-dimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl] 4-methylbenzenesulfonate;methane (CID 160800004) is N-(3-aminophenyl)acetamide;N-[3-[[3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-6,8-dimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl]amino]phenyl]acetamide;[3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-6,8-dimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl] 4-methylbenzenesulfonate;methane.
What is the SMILES notation for N-(3-aminophenyl)acetamide;N-[3-[[3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-6,8-dimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl]amino]phenyl]acetamide;[3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-6,8-dimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl] 4-methylbenzenesulfonate;methane?
The canonical SMILES for N-(3-aminophenyl)acetamide;N-[3-[[3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-6,8-dimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl]amino]phenyl]acetamide;[3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-6,8-dimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl] 4-methylbenzenesulfonate;methane is C.C.C.C.C.CC(=O)Nc1cccc(N)c1.CC(=O)Nc1cccc(Nc2c(C)c(=O)n(C)c3c2c(=O)n(C2CC2)c(=O)n3-c2ccc(I)cc2F)c1.Cc1ccc(S(=O)(=O)Oc2c(C)c(=O)n(C)c3c2c(=O)n(C2CC2)c(=O)n3-c2ccc(I)cc2F)cc1.
What is the InChIKey of N-(3-aminophenyl)acetamide;N-[3-[[3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-6,8-dimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl]amino]phenyl]acetamide;[3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-6,8-dimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl] 4-methylbenzenesulfonate;methane?
The InChIKey is SCYHWDKEHBZZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FIN5O4.C25H21FIN3O6S.C8H10N2O.5CH4/c1-13-22(30-17-6-4-5-16(12-17)29-14(2)34)21-23(31(3)24(13)35)33(20-10-7-15(28)11-19(20)27)26(37)32(25(21)36)18-8-9-18;1-13-4-9-17(10-5-13)37(34,35)36-21-14(2)23(31)28(3)22-20(21)24(32)29(16-7-8-16)25(33)30(22)19-11-6-15(27)12-18(19)26;1-6(11)10-8-4-2-3-7(9)5-8;;;;;/h4-7,10-12,18,30H,8-9H2,1-3H3,(H,29,34);4-6,9-12,16H,7-8H2,1-3H3;2-5H,9H2,1H3,(H,10,11);5*1H4.
What are the key properties of N-(3-aminophenyl)acetamide;N-[3-[[3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-6,8-dimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl]amino]phenyl]acetamide;[3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-6,8-dimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl] 4-methylbenzenesulfonate;methane?
N-(3-aminophenyl)acetamide;N-[3-[[3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-6,8-dimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl]amino]phenyl]acetamide;[3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-6,8-dimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl] 4-methylbenzenesulfonate;methane has a molecular weight of 1483.23 g/mol, XLogP of 11.66, 11 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)acetamide;N-[3-[[3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-6,8-dimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl]amino]phenyl]acetamide;[3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-6,8-dimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl] 4-methylbenzenesulfonate;methane is sourced from PubChem (CID 160800004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).