N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methylbenzamide

C25H29N3O4S — CID 4518002

IUPACN-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methylbenzamide
SMILESCCN(CC)c1ccc(NC(=O)c2cccc(C)c2)cc1S(=O)(=O)Nc1ccccc1OC
InChIInChI=1S/C25H29N3O4S/c1-5-28(6-2)22-15-14-20(26-25(29)19-11-9-10-18(3)16-19)17-24(22)33(30,31)27-21-12-7-8-13-23(21)32-4/h7-17,27H,5-6H2,1-4H3,(H,26,29)
InChIKeyQKKGVWMHGYYGNX-UHFFFAOYSA-N
MW467.59 g/mol
LogP4.90
Rot. Bonds9

About N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methylbenzamide

N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methylbenzamide (PubChem CID 4518002) has the molecular formula C25H29N3O4S and a molecular weight of 467.59 g/mol. Its IUPAC name is N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methylbenzamide
PubChem CID4518002
Molecular FormulaC25H29N3O4S
Molecular Weight467.59 g/mol
Exact Mass467.19
IUPAC NameN-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methylbenzamide
SMILESCCN(CC)c1ccc(NC(=O)c2cccc(C)c2)cc1S(=O)(=O)Nc1ccccc1OC
InChIInChI=1S/C25H29N3O4S/c1-5-28(6-2)22-15-14-20(26-25(29)19-11-9-10-18(3)16-19)17-24(22)33(30,31)27-21-12-7-8-13-23(21)32-4/h7-17,27H,5-6H2,1-4H3,(H,26,29)
InChIKeyQKKGVWMHGYYGNX-UHFFFAOYSA-N
XLogP4.90
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.59
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2083341
3,5-bis(fluoranyl)-~{N}-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 24639827
N-(2-methoxy-5-{[(tetrahydro-2-furanylmethyl)amino]sulfonyl}phenyl)benzamide
CID 2987883
3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(2-methoxyphenyl)propanamide
CID 1317129
4-[(2-methoxyphenyl)sulfamoyl]-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 2519306
4-chloro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide
CID 3465983
2-bromo-N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 4195720
T5247935
CID 5216904
(2-Benzamidophenyl) 4-methoxybenzenesulfonate
CID 9886310
N-(2-methoxyphenyl)-3-(piperidin-1-ylsulfonyl)benzamide
CID 1124158
N-(2-Ethoxy-phenyl)-4-(morpholine-4-sulfonyl)-benzamide
CID 650265
4-fluoro-N-[2-methoxy-4-(1-piperidinylsulfonyl)phenyl]benzamide
CID 1078655

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methylbenzamide?
The IUPAC name of N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methylbenzamide (CID 4518002) is N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methylbenzamide.
What is the SMILES notation for N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methylbenzamide?
The canonical SMILES for N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methylbenzamide is CCN(CC)c1ccc(NC(=O)c2cccc(C)c2)cc1S(=O)(=O)Nc1ccccc1OC.
What is the InChIKey of N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methylbenzamide?
The InChIKey is QKKGVWMHGYYGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4S/c1-5-28(6-2)22-15-14-20(26-25(29)19-11-9-10-18(3)16-19)17-24(22)33(30,31)27-21-12-7-8-13-23(21)32-4/h7-17,27H,5-6H2,1-4H3,(H,26,29).
What are the key properties of N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methylbenzamide?
N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methylbenzamide has a molecular weight of 467.59 g/mol, XLogP of 4.90, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methylbenzamide is sourced from PubChem (CID 4518002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).