(2S)-N-(3,5-dimethylphenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide

C21H22N2O3S2 — CID 92726709

IUPAC(2S)-N-(3,5-dimethylphenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
SMILESCc1cc(C)cc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C21H22N2O3S2/c1-15-11-16(2)13-18(12-15)22-21(24)19(14-17-7-4-3-5-8-17)23-28(25,26)20-9-6-10-27-20/h3-13,19,23H,14H2,1-2H3,(H,22,24)/t19-/m0/s1
InChIKeyXPXSHADPBITRLX-IBGZPJMESA-N
MW414.55 g/mol
LogP3.89
Rot. Bonds7

About (2S)-N-(3,5-dimethylphenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide

(2S)-N-(3,5-dimethylphenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide (PubChem CID 92726709) has the molecular formula C21H22N2O3S2 and a molecular weight of 414.55 g/mol. Its IUPAC name is (2S)-N-(3,5-dimethylphenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-(3,5-dimethylphenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
PubChem CID92726709
Molecular FormulaC21H22N2O3S2
Molecular Weight414.55 g/mol
Exact Mass414.11
IUPAC Name(2S)-N-(3,5-dimethylphenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
SMILESCc1cc(C)cc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C21H22N2O3S2/c1-15-11-16(2)13-18(12-15)22-21(24)19(14-17-7-4-3-5-8-17)23-28(25,26)20-9-6-10-27-20/h3-13,19,23H,14H2,1-2H3,(H,22,24)/t19-/m0/s1
InChIKeyXPXSHADPBITRLX-IBGZPJMESA-N
XLogP3.89
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-2-(thiophen-2-ylsulfonylamino)-N-(2,4,6-trimethylphenyl)propanamide
CID 46361165
N-(4-acetamidophenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 46361169
(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
N-(2-fluorophenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 15998707
(2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(3,5-dimethylphenyl)-3-phenylpropanamide
CID 28538298
(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)-N-(3,5-dimethylphenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 30165304
(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
(2S)-N-[(1R,2R)-2-methylcyclohexyl]-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 124772972

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3,5-dimethylphenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide?
The IUPAC name of (2S)-N-(3,5-dimethylphenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide (CID 92726709) is (2S)-N-(3,5-dimethylphenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide.
What is the SMILES notation for (2S)-N-(3,5-dimethylphenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide?
The canonical SMILES for (2S)-N-(3,5-dimethylphenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide is Cc1cc(C)cc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cccs2)c1.
What is the InChIKey of (2S)-N-(3,5-dimethylphenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide?
The InChIKey is XPXSHADPBITRLX-IBGZPJMESA-N. The full InChI is InChI=1S/C21H22N2O3S2/c1-15-11-16(2)13-18(12-15)22-21(24)19(14-17-7-4-3-5-8-17)23-28(25,26)20-9-6-10-27-20/h3-13,19,23H,14H2,1-2H3,(H,22,24)/t19-/m0/s1.
What are the key properties of (2S)-N-(3,5-dimethylphenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide?
(2S)-N-(3,5-dimethylphenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide has a molecular weight of 414.55 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3,5-dimethylphenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 92726709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).