3-phenyl-2-(thiophen-2-ylsulfonylamino)-N-(2,4,6-trimethylphenyl)propanamide

C22H24N2O3S2 — CID 46361165

IUPAC3-phenyl-2-(thiophen-2-ylsulfonylamino)-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)C(Cc2ccccc2)NS(=O)(=O)c2cccs2)c(C)c1
InChIInChI=1S/C22H24N2O3S2/c1-15-12-16(2)21(17(3)13-15)23-22(25)19(14-18-8-5-4-6-9-18)24-29(26,27)20-10-7-11-28-20/h4-13,19,24H,14H2,1-3H3,(H,23,25)
InChIKeyKLUJSGPBYPILLA-UHFFFAOYSA-N
MW428.58 g/mol
LogP4.20
Rot. Bonds7

About 3-phenyl-2-(thiophen-2-ylsulfonylamino)-N-(2,4,6-trimethylphenyl)propanamide

3-phenyl-2-(thiophen-2-ylsulfonylamino)-N-(2,4,6-trimethylphenyl)propanamide (PubChem CID 46361165) has the molecular formula C22H24N2O3S2 and a molecular weight of 428.58 g/mol. Its IUPAC name is 3-phenyl-2-(thiophen-2-ylsulfonylamino)-N-(2,4,6-trimethylphenyl)propanamide.

Molecular Properties

Compound Name3-phenyl-2-(thiophen-2-ylsulfonylamino)-N-(2,4,6-trimethylphenyl)propanamide
PubChem CID46361165
Molecular FormulaC22H24N2O3S2
Molecular Weight428.58 g/mol
Exact Mass428.12
IUPAC Name3-phenyl-2-(thiophen-2-ylsulfonylamino)-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)C(Cc2ccccc2)NS(=O)(=O)c2cccs2)c(C)c1
InChIInChI=1S/C22H24N2O3S2/c1-15-12-16(2)21(17(3)13-15)23-22(25)19(14-18-8-5-4-6-9-18)24-29(26,27)20-10-7-11-28-20/h4-13,19,24H,14H2,1-3H3,(H,23,25)
InChIKeyKLUJSGPBYPILLA-UHFFFAOYSA-N
XLogP4.20
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(3,5-dimethylphenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 92726709
(2R)-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-N-(2,4,6-trimethylphenyl)propanamide
CID 41374212
N-(4-acetamidophenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 46361169
2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-(2,4,6-trimethylphenyl)propanamide
CID 3877256
(2S)-3-phenyl-2-(thiophen-2-ylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 92502327
N-(2-fluorophenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 15998707
N-(3-chlorophenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 15995135
(2S)-3-phenyl-N-(1,3-thiazol-2-yl)-2-(thiophen-2-ylsulfonylamino)propanamide
CID 92715878
N-cycloheptyl-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 22422631
(2S)-2-methyl-3-phenyl-N-(2,4,6-trimethylphenyl)propanamide
CID 793462
(2R)-N-[(4-chlorophenyl)methyl]-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 92714827
(2S)-N-(4-acetamidophenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 28537725

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-(thiophen-2-ylsulfonylamino)-N-(2,4,6-trimethylphenyl)propanamide?
The IUPAC name of 3-phenyl-2-(thiophen-2-ylsulfonylamino)-N-(2,4,6-trimethylphenyl)propanamide (CID 46361165) is 3-phenyl-2-(thiophen-2-ylsulfonylamino)-N-(2,4,6-trimethylphenyl)propanamide.
What is the SMILES notation for 3-phenyl-2-(thiophen-2-ylsulfonylamino)-N-(2,4,6-trimethylphenyl)propanamide?
The canonical SMILES for 3-phenyl-2-(thiophen-2-ylsulfonylamino)-N-(2,4,6-trimethylphenyl)propanamide is Cc1cc(C)c(NC(=O)C(Cc2ccccc2)NS(=O)(=O)c2cccs2)c(C)c1.
What is the InChIKey of 3-phenyl-2-(thiophen-2-ylsulfonylamino)-N-(2,4,6-trimethylphenyl)propanamide?
The InChIKey is KLUJSGPBYPILLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S2/c1-15-12-16(2)21(17(3)13-15)23-22(25)19(14-18-8-5-4-6-9-18)24-29(26,27)20-10-7-11-28-20/h4-13,19,24H,14H2,1-3H3,(H,23,25).
What are the key properties of 3-phenyl-2-(thiophen-2-ylsulfonylamino)-N-(2,4,6-trimethylphenyl)propanamide?
3-phenyl-2-(thiophen-2-ylsulfonylamino)-N-(2,4,6-trimethylphenyl)propanamide has a molecular weight of 428.58 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-(thiophen-2-ylsulfonylamino)-N-(2,4,6-trimethylphenyl)propanamide is sourced from PubChem (CID 46361165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).