N-[2-(2-methoxyanilino)-2-oxoethyl]-3-[(4-methoxyphenyl)sulfamoyl]-N-propylbenzamide

C26H29N3O6S — CID 24982505

IUPACN-[2-(2-methoxyanilino)-2-oxoethyl]-3-[(4-methoxyphenyl)sulfamoyl]-N-propylbenzamide
SMILESCCCN(CC(=O)Nc1ccccc1OC)C(=O)c1cccc(S(=O)(=O)Nc2ccc(OC)cc2)c1
InChIInChI=1S/C26H29N3O6S/c1-4-16-29(18-25(30)27-23-10-5-6-11-24(23)35-3)26(31)19-8-7-9-22(17-19)36(32,33)28-20-12-14-21(34-2)15-13-20/h5-15,17,28H,4,16,18H2,1-3H3,(H,27,30)
InChIKeyNTHJLQYJRPEQPJ-UHFFFAOYSA-N
MW511.60 g/mol
LogP4.00
Rot. Bonds11

About N-[2-(2-methoxyanilino)-2-oxoethyl]-3-[(4-methoxyphenyl)sulfamoyl]-N-propylbenzamide

N-[2-(2-methoxyanilino)-2-oxoethyl]-3-[(4-methoxyphenyl)sulfamoyl]-N-propylbenzamide (PubChem CID 24982505) has the molecular formula C26H29N3O6S and a molecular weight of 511.60 g/mol. Its IUPAC name is N-[2-(2-methoxyanilino)-2-oxoethyl]-3-[(4-methoxyphenyl)sulfamoyl]-N-propylbenzamide.

Molecular Properties

Compound NameN-[2-(2-methoxyanilino)-2-oxoethyl]-3-[(4-methoxyphenyl)sulfamoyl]-N-propylbenzamide
PubChem CID24982505
Molecular FormulaC26H29N3O6S
Molecular Weight511.60 g/mol
Exact Mass511.18
IUPAC NameN-[2-(2-methoxyanilino)-2-oxoethyl]-3-[(4-methoxyphenyl)sulfamoyl]-N-propylbenzamide
SMILESCCCN(CC(=O)Nc1ccccc1OC)C(=O)c1cccc(S(=O)(=O)Nc2ccc(OC)cc2)c1
InChIInChI=1S/C26H29N3O6S/c1-4-16-29(18-25(30)27-23-10-5-6-11-24(23)35-3)26(31)19-8-7-9-22(17-19)36(32,33)28-20-12-14-21(34-2)15-13-20/h5-15,17,28H,4,16,18H2,1-3H3,(H,27,30)
InChIKeyNTHJLQYJRPEQPJ-UHFFFAOYSA-N
XLogP4.00
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.60
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(2-methoxyanilino)-2-oxoethyl]-3-[(4-methoxyphenyl)sulfamoyl]-N-propylbenzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-butyl-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 17480264
N-[3-[[2-(2-methoxyanilino)-2-oxoethyl]-propylcarbamoyl]phenyl]furan-2-carboxamide
CID 55874564
3-[(4-methoxyphenyl)sulfamoyl]-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 55991701
3-[(2-chlorophenyl)sulfamoyl]-N-[2-oxo-2-(propylamino)ethyl]-N-propylbenzamide
CID 55863638
3-(dipropylsulfamoyl)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide
CID 4832393
N-(2-methoxyphenyl)-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7939173
N-[2-(dimethylamino)ethyl]-3-[(4-fluorophenyl)sulfamoyl]-N-propylbenzamide
CID 86892169
2-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
CID 49318199
N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538254
3-(benzenesulfonamido)-N,N-dipropylbenzamide
CID 30282516
N-methoxy-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 17421680
N-(2,5-dimethoxyphenyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 94788763

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyanilino)-2-oxoethyl]-3-[(4-methoxyphenyl)sulfamoyl]-N-propylbenzamide?
The IUPAC name of N-[2-(2-methoxyanilino)-2-oxoethyl]-3-[(4-methoxyphenyl)sulfamoyl]-N-propylbenzamide (CID 24982505) is N-[2-(2-methoxyanilino)-2-oxoethyl]-3-[(4-methoxyphenyl)sulfamoyl]-N-propylbenzamide.
What is the SMILES notation for N-[2-(2-methoxyanilino)-2-oxoethyl]-3-[(4-methoxyphenyl)sulfamoyl]-N-propylbenzamide?
The canonical SMILES for N-[2-(2-methoxyanilino)-2-oxoethyl]-3-[(4-methoxyphenyl)sulfamoyl]-N-propylbenzamide is CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1cccc(S(=O)(=O)Nc2ccc(OC)cc2)c1.
What is the InChIKey of N-[2-(2-methoxyanilino)-2-oxoethyl]-3-[(4-methoxyphenyl)sulfamoyl]-N-propylbenzamide?
The InChIKey is NTHJLQYJRPEQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O6S/c1-4-16-29(18-25(30)27-23-10-5-6-11-24(23)35-3)26(31)19-8-7-9-22(17-19)36(32,33)28-20-12-14-21(34-2)15-13-20/h5-15,17,28H,4,16,18H2,1-3H3,(H,27,30).
What are the key properties of N-[2-(2-methoxyanilino)-2-oxoethyl]-3-[(4-methoxyphenyl)sulfamoyl]-N-propylbenzamide?
N-[2-(2-methoxyanilino)-2-oxoethyl]-3-[(4-methoxyphenyl)sulfamoyl]-N-propylbenzamide has a molecular weight of 511.60 g/mol, XLogP of 4.00, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyanilino)-2-oxoethyl]-3-[(4-methoxyphenyl)sulfamoyl]-N-propylbenzamide is sourced from PubChem (CID 24982505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).