2-[[(2R)-2-(4-chloro-N-methylsulfonylanilino)propanoyl]amino]-N-propan-2-ylbenzamide

C20H24ClN3O4S — CID 2239247

IUPAC2-[[(2R)-2-(4-chloro-N-methylsulfonylanilino)propanoyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C20H24ClN3O4S/c1-13(2)22-20(26)17-7-5-6-8-18(17)23-19(25)14(3)24(29(4,27)28)16-11-9-15(21)10-12-16/h5-14H,1-4H3,(H,22,26)(H,23,25)/t14-/m1/s1
InChIKeyAVBGBODNRKPTRV-CQSZACIVSA-N
MW437.95 g/mol
LogP3.27
Rot. Bonds7

About 2-[[(2R)-2-(4-chloro-N-methylsulfonylanilino)propanoyl]amino]-N-propan-2-ylbenzamide

2-[[(2R)-2-(4-chloro-N-methylsulfonylanilino)propanoyl]amino]-N-propan-2-ylbenzamide (PubChem CID 2239247) has the molecular formula C20H24ClN3O4S and a molecular weight of 437.95 g/mol. Its IUPAC name is 2-[[(2R)-2-(4-chloro-N-methylsulfonylanilino)propanoyl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-[[(2R)-2-(4-chloro-N-methylsulfonylanilino)propanoyl]amino]-N-propan-2-ylbenzamide
PubChem CID2239247
Molecular FormulaC20H24ClN3O4S
Molecular Weight437.95 g/mol
Exact Mass437.12
IUPAC Name2-[[(2R)-2-(4-chloro-N-methylsulfonylanilino)propanoyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C20H24ClN3O4S/c1-13(2)22-20(26)17-7-5-6-8-18(17)23-19(25)14(3)24(29(4,27)28)16-11-9-15(21)10-12-16/h5-14H,1-4H3,(H,22,26)(H,23,25)/t14-/m1/s1
InChIKeyAVBGBODNRKPTRV-CQSZACIVSA-N
XLogP3.27
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.95
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2R)-2-(N-methylsulfonylanilino)propanoyl]amino]-N-propan-2-ylbenzamide
CID 124581512
2-[[(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanoyl]amino]-N-propan-2-ylbenzamide
CID 2231853
2-[2-(3-methoxy-N-methylsulfonylanilino)propanoylamino]-N-propan-2-ylbenzamide
CID 132670001
N-(3-chloro-2-methylphenyl)-2-(4-chloro-N-methylsulfonylanilino)propanamide
CID 4311330
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)propanamide
CID 99954361
(2S)-N-(4-chlorophenyl)-2-(N-methylsulfonylanilino)propanamide
CID 1311402
N-(5-chloro-2-methylphenyl)-2-(N-methylsulfonylanilino)propanamide
CID 2913752
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 1248741
2-[[(2S)-2-(4-ethoxy-N-methylsulfonylanilino)propanoyl]amino]-N-(2-methylpropyl)benzamide
CID 982429
2-[2-(4-ethoxy-N-methylsulfonylanilino)propanoylamino]-N-(2-methylpropyl)benzamide
CID 4088711
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)propanamide
CID 1241970
2-[[(2R)-2-(N-methylsulfonylanilino)propanoyl]amino]-N-prop-2-enylbenzamide
CID 2193981

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-(4-chloro-N-methylsulfonylanilino)propanoyl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 2-[[(2R)-2-(4-chloro-N-methylsulfonylanilino)propanoyl]amino]-N-propan-2-ylbenzamide (CID 2239247) is 2-[[(2R)-2-(4-chloro-N-methylsulfonylanilino)propanoyl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-[[(2R)-2-(4-chloro-N-methylsulfonylanilino)propanoyl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 2-[[(2R)-2-(4-chloro-N-methylsulfonylanilino)propanoyl]amino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O.
What is the InChIKey of 2-[[(2R)-2-(4-chloro-N-methylsulfonylanilino)propanoyl]amino]-N-propan-2-ylbenzamide?
The InChIKey is AVBGBODNRKPTRV-CQSZACIVSA-N. The full InChI is InChI=1S/C20H24ClN3O4S/c1-13(2)22-20(26)17-7-5-6-8-18(17)23-19(25)14(3)24(29(4,27)28)16-11-9-15(21)10-12-16/h5-14H,1-4H3,(H,22,26)(H,23,25)/t14-/m1/s1.
What are the key properties of 2-[[(2R)-2-(4-chloro-N-methylsulfonylanilino)propanoyl]amino]-N-propan-2-ylbenzamide?
2-[[(2R)-2-(4-chloro-N-methylsulfonylanilino)propanoyl]amino]-N-propan-2-ylbenzamide has a molecular weight of 437.95 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-(4-chloro-N-methylsulfonylanilino)propanoyl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 2239247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).