(2S)-N-(2,5-dimethylphenyl)-2-phenyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide

C24H27N3O3S — CID 92509537

IUPAC(2S)-N-(2,5-dimethylphenyl)-2-phenyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
SMILESCc1ccc(C)c(NC(=O)[C@@H](NCCc2ccc(S(N)(=O)=O)cc2)c2ccccc2)c1
InChIInChI=1S/C24H27N3O3S/c1-17-8-9-18(2)22(16-17)27-24(28)23(20-6-4-3-5-7-20)26-15-14-19-10-12-21(13-11-19)31(25,29)30/h3-13,16,23,26H,14-15H2,1-2H3,(H,27,28)(H2,25,29,30)/t23-/m0/s1
InChIKeyCVHYYMDVLSOVBY-QHCPKHFHSA-N
MW437.57 g/mol
LogP3.46
Rot. Bonds8

About (2S)-N-(2,5-dimethylphenyl)-2-phenyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide

(2S)-N-(2,5-dimethylphenyl)-2-phenyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide (PubChem CID 92509537) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is (2S)-N-(2,5-dimethylphenyl)-2-phenyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide.

Molecular Properties

Compound Name(2S)-N-(2,5-dimethylphenyl)-2-phenyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
PubChem CID92509537
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC Name(2S)-N-(2,5-dimethylphenyl)-2-phenyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
SMILESCc1ccc(C)c(NC(=O)[C@@H](NCCc2ccc(S(N)(=O)=O)cc2)c2ccccc2)c1
InChIInChI=1S/C24H27N3O3S/c1-17-8-9-18(2)22(16-17)27-24(28)23(20-6-4-3-5-7-20)26-15-14-19-10-12-21(13-11-19)31(25,29)30/h3-13,16,23,26H,14-15H2,1-2H3,(H,27,28)(H2,25,29,30)/t23-/m0/s1
InChIKeyCVHYYMDVLSOVBY-QHCPKHFHSA-N
XLogP3.46
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethylphenyl)-2-phenyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 4848816
(2S)-N-(2,5-dimethylphenyl)-2-[(4-methylphenyl)methylamino]-2-phenylacetamide
CID 7928830
N-(2,5-dimethylphenyl)-2-phenyl-2-(propylamino)acetamide
CID 4781429
(2R)-N-(2,5-dimethylphenyl)-2-(2-methylpropylamino)-2-phenylacetamide
CID 2396119
4-[2-[[(1S)-2-(6-methyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]amino]ethyl]benzenesulfonamide
CID 139422932
(2R)-N-(2,5-dimethylphenyl)-2-(4-ethylanilino)-2-phenylacetamide
CID 7928697
4-[2-(benzhydrylamino)ethyl]benzenesulfonamide
CID 7998765
(2S)-2-(1,3-benzodioxol-5-ylmethylamino)-N-(2,5-dimethylphenyl)-2-phenylacetamide
CID 41143433
(2R)-N-(2,5-dimethylphenyl)-2-(4-methylanilino)-2-phenylacetamide
CID 7778075
3-(2,5-dimethylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 109027627
2-[2-(4-sulfamoylphenyl)ethylamino]butanoic acid
CID 115353272
(2S)-N-(2,5-dimethylphenyl)-2-phenyl-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]acetamide
CID 40811390

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,5-dimethylphenyl)-2-phenyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide?
The IUPAC name of (2S)-N-(2,5-dimethylphenyl)-2-phenyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide (CID 92509537) is (2S)-N-(2,5-dimethylphenyl)-2-phenyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide.
What is the SMILES notation for (2S)-N-(2,5-dimethylphenyl)-2-phenyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide?
The canonical SMILES for (2S)-N-(2,5-dimethylphenyl)-2-phenyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide is Cc1ccc(C)c(NC(=O)[C@@H](NCCc2ccc(S(N)(=O)=O)cc2)c2ccccc2)c1.
What is the InChIKey of (2S)-N-(2,5-dimethylphenyl)-2-phenyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide?
The InChIKey is CVHYYMDVLSOVBY-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-17-8-9-18(2)22(16-17)27-24(28)23(20-6-4-3-5-7-20)26-15-14-19-10-12-21(13-11-19)31(25,29)30/h3-13,16,23,26H,14-15H2,1-2H3,(H,27,28)(H2,25,29,30)/t23-/m0/s1.
What are the key properties of (2S)-N-(2,5-dimethylphenyl)-2-phenyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide?
(2S)-N-(2,5-dimethylphenyl)-2-phenyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide has a molecular weight of 437.57 g/mol, XLogP of 3.46, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,5-dimethylphenyl)-2-phenyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide is sourced from PubChem (CID 92509537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).