(2S)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide

C25H29N3O6S2 — CID 126415352

IUPAC(2S)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3ccc(C)cc3)S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C25H29N3O6S2/c1-5-34-23-14-8-21(9-15-23)27-36(32,33)24-16-10-20(11-17-24)26-25(29)19(3)28(35(4,30)31)22-12-6-18(2)7-13-22/h6-17,19,27H,5H2,1-4H3,(H,26,29)/t19-/m0/s1
InChIKeySFBYSZHHCRPSBH-IBGZPJMESA-N
MW531.66 g/mol
LogP3.99
Rot. Bonds10

About (2S)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide

(2S)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide (PubChem CID 126415352) has the molecular formula C25H29N3O6S2 and a molecular weight of 531.66 g/mol. Its IUPAC name is (2S)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound Name(2S)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide
PubChem CID126415352
Molecular FormulaC25H29N3O6S2
Molecular Weight531.66 g/mol
Exact Mass531.15
IUPAC Name(2S)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3ccc(C)cc3)S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C25H29N3O6S2/c1-5-34-23-14-8-21(9-15-23)27-36(32,33)24-16-10-20(11-17-24)26-25(29)19(3)28(35(4,30)31)22-12-6-18(2)7-13-22/h6-17,19,27H,5H2,1-4H3,(H,26,29)/t19-/m0/s1
InChIKeySFBYSZHHCRPSBH-IBGZPJMESA-N
XLogP3.99
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.66
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide 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

(2S)-2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 1320042
(2S)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 1276265
(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 1333959
(2S)-N-(4-bromophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 1333977
(2S)-N-(4-chlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 1321192
(2S)-2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 126325887
2-(4-methoxy-N-methylsulfonylanilino)-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 43882438
2-(4-methyl-N-methylsulfonylanilino)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 46763491
(2R)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 27059928
(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 94854777
(2R)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 94864617
(2R)-2-(4-methyl-N-methylsulfonylanilino)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]propanamide
CID 126413930

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide?
The IUPAC name of (2S)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide (CID 126415352) is (2S)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for (2S)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide?
The canonical SMILES for (2S)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide is CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3ccc(C)cc3)S(C)(=O)=O)cc2)cc1.
What is the InChIKey of (2S)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide?
The InChIKey is SFBYSZHHCRPSBH-IBGZPJMESA-N. The full InChI is InChI=1S/C25H29N3O6S2/c1-5-34-23-14-8-21(9-15-23)27-36(32,33)24-16-10-20(11-17-24)26-25(29)19(3)28(35(4,30)31)22-12-6-18(2)7-13-22/h6-17,19,27H,5H2,1-4H3,(H,26,29)/t19-/m0/s1.
What are the key properties of (2S)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide?
(2S)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide has a molecular weight of 531.66 g/mol, XLogP of 3.99, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 126415352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).