N-[1-[3-(dimethylsulfamoyl)-4-methylanilino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide

C23H25N3O4S2 — CID 24635520

IUPACN-[1-[3-(dimethylsulfamoyl)-4-methylanilino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)C(Cc2ccccc2)NC(=O)c2cccs2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C23H25N3O4S2/c1-16-11-12-18(15-21(16)32(29,30)26(2)3)24-22(27)19(14-17-8-5-4-6-9-17)25-23(28)20-10-7-13-31-20/h4-13,15,19H,14H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyROQIFLGFRHSOOP-UHFFFAOYSA-N
MW471.60 g/mol
LogP3.29
Rot. Bonds8

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

N-[1-[3-(dimethylsulfamoyl)-4-methylanilino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide (PubChem CID 24635520) has the molecular formula C23H25N3O4S2 and a molecular weight of 471.60 g/mol. Its IUPAC name is N-[1-[3-(dimethylsulfamoyl)-4-methylanilino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(dimethylsulfamoyl)-4-methylanilino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
PubChem CID24635520
Molecular FormulaC23H25N3O4S2
Molecular Weight471.60 g/mol
Exact Mass471.13
IUPAC NameN-[1-[3-(dimethylsulfamoyl)-4-methylanilino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)C(Cc2ccccc2)NC(=O)c2cccs2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C23H25N3O4S2/c1-16-11-12-18(15-21(16)32(29,30)26(2)3)24-22(27)19(14-17-8-5-4-6-9-17)25-23(28)20-10-7-13-31-20/h4-13,15,19H,14H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyROQIFLGFRHSOOP-UHFFFAOYSA-N
XLogP3.29
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-methyl-3-sulfamoylanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 42917748
2-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-phenylpropanamide
CID 119263742
N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 55334887
N-[(2S)-1-[methyl-[(2-methylphenyl)methyl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 24546913
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
3-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-methylpropanamide
CID 62670776
N-[(2R)-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 2428943
3-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenylpropanamide;hydrochloride
CID 119675164
2-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]butanamide
CID 61259264
(2S)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenoxypropanamide
CID 7812070
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenoxypropanamide
CID 5138475

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(dimethylsulfamoyl)-4-methylanilino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[3-(dimethylsulfamoyl)-4-methylanilino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide (CID 24635520) is N-[1-[3-(dimethylsulfamoyl)-4-methylanilino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[3-(dimethylsulfamoyl)-4-methylanilino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[3-(dimethylsulfamoyl)-4-methylanilino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide is Cc1ccc(NC(=O)C(Cc2ccccc2)NC(=O)c2cccs2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[1-[3-(dimethylsulfamoyl)-4-methylanilino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?
The InChIKey is ROQIFLGFRHSOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S2/c1-16-11-12-18(15-21(16)32(29,30)26(2)3)24-22(27)19(14-17-8-5-4-6-9-17)25-23(28)20-10-7-13-31-20/h4-13,15,19H,14H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of N-[1-[3-(dimethylsulfamoyl)-4-methylanilino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?
N-[1-[3-(dimethylsulfamoyl)-4-methylanilino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide has a molecular weight of 471.60 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(dimethylsulfamoyl)-4-methylanilino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 24635520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).