N-(4-acetamidophenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide

C21H21N3O4S2 — CID 46361169

IUPACN-(4-acetamidophenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)C(Cc2ccccc2)NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C21H21N3O4S2/c1-15(25)22-17-9-11-18(12-10-17)23-21(26)19(14-16-6-3-2-4-7-16)24-30(27,28)20-8-5-13-29-20/h2-13,19,24H,14H2,1H3,(H,22,25)(H,23,26)
InChIKeyVNOXLYBJDJQRND-UHFFFAOYSA-N
MW443.55 g/mol
LogP3.23
Rot. Bonds8

About N-(4-acetamidophenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide

N-(4-acetamidophenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide (PubChem CID 46361169) has the molecular formula C21H21N3O4S2 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
PubChem CID46361169
Molecular FormulaC21H21N3O4S2
Molecular Weight443.55 g/mol
Exact Mass443.10
IUPAC NameN-(4-acetamidophenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)C(Cc2ccccc2)NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C21H21N3O4S2/c1-15(25)22-17-9-11-18(12-10-17)23-21(26)19(14-16-6-3-2-4-7-16)24-30(27,28)20-8-5-13-29-20/h2-13,19,24H,14H2,1H3,(H,22,25)(H,23,26)
InChIKeyVNOXLYBJDJQRND-UHFFFAOYSA-N
XLogP3.23
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(3,5-dimethylphenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 92726709
(2S)-3-phenyl-2-(thiophen-2-ylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 92502327
N-(3-chlorophenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 15995135
3-phenyl-2-(thiophen-2-ylsulfonylamino)-N-(2,4,6-trimethylphenyl)propanamide
CID 46361165
N-(2-fluorophenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 15998707
(2S)-3-phenyl-N-(1,3-thiazol-2-yl)-2-(thiophen-2-ylsulfonylamino)propanamide
CID 92715878
(2R)-N-(4-acetamidophenyl)-2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanamide
CID 40931965
(2S)-N-(4-acetamidophenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 28537725
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-3-phenylpropanoic acid
CID 983566
N-cycloheptyl-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 22422631
methyl (2R)-2-[(4-acetamidophenyl)sulfonylamino]-3-phenylpropanoate
CID 40521531
(2R)-N-[(4-chlorophenyl)methyl]-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 92714827

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide?
The IUPAC name of N-(4-acetamidophenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide (CID 46361169) is N-(4-acetamidophenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide.
What is the SMILES notation for N-(4-acetamidophenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide?
The canonical SMILES for N-(4-acetamidophenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide is CC(=O)Nc1ccc(NC(=O)C(Cc2ccccc2)NS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide?
The InChIKey is VNOXLYBJDJQRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S2/c1-15(25)22-17-9-11-18(12-10-17)23-21(26)19(14-16-6-3-2-4-7-16)24-30(27,28)20-8-5-13-29-20/h2-13,19,24H,14H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-(4-acetamidophenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide?
N-(4-acetamidophenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide has a molecular weight of 443.55 g/mol, XLogP of 3.23, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 46361169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).