N-[1-(4-methyl-3-sulfamoylanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide

C21H21N3O4S2 — CID 42917748

IUPACN-[1-(4-methyl-3-sulfamoylanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)C(Cc2ccccc2)NC(=O)c2cccs2)cc1S(N)(=O)=O
InChIInChI=1S/C21H21N3O4S2/c1-14-9-10-16(13-19(14)30(22,27)28)23-20(25)17(12-15-6-3-2-4-7-15)24-21(26)18-8-5-11-29-18/h2-11,13,17H,12H2,1H3,(H,23,25)(H,24,26)(H2,22,27,28)
InChIKeyBPTITJJUUFRCOT-UHFFFAOYSA-N
MW443.55 g/mol
LogP2.68
Rot. Bonds7

About N-[1-(4-methyl-3-sulfamoylanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide

N-[1-(4-methyl-3-sulfamoylanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide (PubChem CID 42917748) has the molecular formula C21H21N3O4S2 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-[1-(4-methyl-3-sulfamoylanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methyl-3-sulfamoylanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
PubChem CID42917748
Molecular FormulaC21H21N3O4S2
Molecular Weight443.55 g/mol
Exact Mass443.10
IUPAC NameN-[1-(4-methyl-3-sulfamoylanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)C(Cc2ccccc2)NC(=O)c2cccs2)cc1S(N)(=O)=O
InChIInChI=1S/C21H21N3O4S2/c1-14-9-10-16(13-19(14)30(22,27)28)23-20(25)17(12-15-6-3-2-4-7-15)24-21(26)18-8-5-11-29-18/h2-11,13,17H,12H2,1H3,(H,23,25)(H,24,26)(H2,22,27,28)
InChIKeyBPTITJJUUFRCOT-UHFFFAOYSA-N
XLogP2.68
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[1-(4-methyl-3-sulfamoylanilino)-1-oxo-3-phenylpropan-2-yl]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

N-[1-[3-(dimethylsulfamoyl)-4-methylanilino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 24635520
N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 55334887
N-[(2S)-1-oxo-3-phenyl-1-(3,4,5-trimethoxyanilino)propan-2-yl]thiophene-2-carboxamide
CID 36670866
N-[1-(3-methyl-4-pyridin-3-yloxyanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 60582304
N-[(2R)-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 2428943
N-[1-[(2-amino-2-methylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119629092
N-[1-[2-(ethylamino)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 119507944
N-[1-oxo-3-phenyl-1-[4-(pyrazol-1-ylmethyl)anilino]propan-2-yl]thiophene-2-carboxamide
CID 55970055
N-[1-(1-hydroxybutan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 110878206
N-[1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 42933399
2-methyl-N-(4-methyl-3-sulfamoylphenyl)butanamide
CID 51331861
N-[(2S)-1-oxo-1-(2-phenoxyethylamino)-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 32933462

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-3-sulfamoylanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-(4-methyl-3-sulfamoylanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide (CID 42917748) is N-[1-(4-methyl-3-sulfamoylanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(4-methyl-3-sulfamoylanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(4-methyl-3-sulfamoylanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide is Cc1ccc(NC(=O)C(Cc2ccccc2)NC(=O)c2cccs2)cc1S(N)(=O)=O.
What is the InChIKey of N-[1-(4-methyl-3-sulfamoylanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?
The InChIKey is BPTITJJUUFRCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S2/c1-14-9-10-16(13-19(14)30(22,27)28)23-20(25)17(12-15-6-3-2-4-7-15)24-21(26)18-8-5-11-29-18/h2-11,13,17H,12H2,1H3,(H,23,25)(H,24,26)(H2,22,27,28).
What are the key properties of N-[1-(4-methyl-3-sulfamoylanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?
N-[1-(4-methyl-3-sulfamoylanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide has a molecular weight of 443.55 g/mol, XLogP of 2.68, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-3-sulfamoylanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 42917748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).