3-[(4-ethoxyphenyl)-methylsulfamoyl]-N-[(1R)-1-phenylethyl]thiophene-2-carboxamide

C22H24N2O4S2 — CID 95066242

IUPAC3-[(4-ethoxyphenyl)-methylsulfamoyl]-N-[(1R)-1-phenylethyl]thiophene-2-carboxamide
SMILESCCOc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)N[C@H](C)c2ccccc2)cc1
InChIInChI=1S/C22H24N2O4S2/c1-4-28-19-12-10-18(11-13-19)24(3)30(26,27)20-14-15-29-21(20)22(25)23-16(2)17-8-6-5-7-9-17/h5-16H,4H2,1-3H3,(H,23,25)/t16-/m1/s1
InChIKeyKUAOZDICUMEATG-MRXNPFEDSA-N
MW444.58 g/mol
LogP4.46
Rot. Bonds8

About 3-[(4-ethoxyphenyl)-methylsulfamoyl]-N-[(1R)-1-phenylethyl]thiophene-2-carboxamide

3-[(4-ethoxyphenyl)-methylsulfamoyl]-N-[(1R)-1-phenylethyl]thiophene-2-carboxamide (PubChem CID 95066242) has the molecular formula C22H24N2O4S2 and a molecular weight of 444.58 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)-methylsulfamoyl]-N-[(1R)-1-phenylethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)-methylsulfamoyl]-N-[(1R)-1-phenylethyl]thiophene-2-carboxamide
PubChem CID95066242
Molecular FormulaC22H24N2O4S2
Molecular Weight444.58 g/mol
Exact Mass444.12
IUPAC Name3-[(4-ethoxyphenyl)-methylsulfamoyl]-N-[(1R)-1-phenylethyl]thiophene-2-carboxamide
SMILESCCOc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)N[C@H](C)c2ccccc2)cc1
InChIInChI=1S/C22H24N2O4S2/c1-4-28-19-12-10-18(11-13-19)24(3)30(26,27)20-14-15-29-21(20)22(25)23-16(2)17-8-6-5-7-9-17/h5-16H,4H2,1-3H3,(H,23,25)/t16-/m1/s1
InChIKeyKUAOZDICUMEATG-MRXNPFEDSA-N
XLogP4.46
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(4-ethoxyphenyl)-methylsulfamoyl]-N-[(1R)-1-phenylethyl]thiophene-2-carboxamide 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

3-[(4-ethoxyphenyl)-methylsulfamoyl]-N-ethylthiophene-2-carboxamide
CID 53061891
4-[benzenesulfonyl(methyl)amino]-N-[(1S)-1-(4-ethoxyphenyl)ethyl]benzamide
CID 93487645
N-[3-(diethylcarbamoyl)phenyl]-3-[(4-ethoxyphenyl)-methylsulfamoyl]thiophene-2-carboxamide
CID 171727981
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(1-phenylethyl)benzamide
CID 4802997
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-phenoxyphenyl)thiophene-2-carboxamide
CID 53061856
3-[(4-ethoxyphenyl)-methylsulfamoyl]-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-carboxamide
CID 171727968
4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]benzamide
CID 92686168
3-[[3-[[4-(2-methoxyethoxy)phenyl]-methylsulfamoyl]thiophene-2-carbonyl]amino]benzoic acid
CID 174172745
N-[1-(4-ethoxyphenyl)ethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55490961
2-[(4-ethoxyphenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 126184661
2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 30377521
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30405340

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)-methylsulfamoyl]-N-[(1R)-1-phenylethyl]thiophene-2-carboxamide?
The IUPAC name of 3-[(4-ethoxyphenyl)-methylsulfamoyl]-N-[(1R)-1-phenylethyl]thiophene-2-carboxamide (CID 95066242) is 3-[(4-ethoxyphenyl)-methylsulfamoyl]-N-[(1R)-1-phenylethyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-[(4-ethoxyphenyl)-methylsulfamoyl]-N-[(1R)-1-phenylethyl]thiophene-2-carboxamide?
The canonical SMILES for 3-[(4-ethoxyphenyl)-methylsulfamoyl]-N-[(1R)-1-phenylethyl]thiophene-2-carboxamide is CCOc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)N[C@H](C)c2ccccc2)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)-methylsulfamoyl]-N-[(1R)-1-phenylethyl]thiophene-2-carboxamide?
The InChIKey is KUAOZDICUMEATG-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H24N2O4S2/c1-4-28-19-12-10-18(11-13-19)24(3)30(26,27)20-14-15-29-21(20)22(25)23-16(2)17-8-6-5-7-9-17/h5-16H,4H2,1-3H3,(H,23,25)/t16-/m1/s1.
What are the key properties of 3-[(4-ethoxyphenyl)-methylsulfamoyl]-N-[(1R)-1-phenylethyl]thiophene-2-carboxamide?
3-[(4-ethoxyphenyl)-methylsulfamoyl]-N-[(1R)-1-phenylethyl]thiophene-2-carboxamide has a molecular weight of 444.58 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenyl)-methylsulfamoyl]-N-[(1R)-1-phenylethyl]thiophene-2-carboxamide is sourced from PubChem (CID 95066242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).