(2R)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]butanamide

C20H26N2O3S — CID 25496727

IUPAC(2R)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]butanamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](C(=O)N[C@@H](C)c2ccccc2)C(C)C)cc1
InChIInChI=1S/C20H26N2O3S/c1-14(2)19(20(23)21-16(4)17-8-6-5-7-9-17)22-26(24,25)18-12-10-15(3)11-13-18/h5-14,16,19,22H,1-4H3,(H,21,23)/t16-,19+/m0/s1
InChIKeyOFWNHQVEIPGDEQ-QFBILLFUSA-N
MW374.51 g/mol
LogP3.18
Rot. Bonds7

About (2R)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]butanamide

(2R)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]butanamide (PubChem CID 25496727) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is (2R)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]butanamide.

Molecular Properties

Compound Name(2R)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]butanamide
PubChem CID25496727
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name(2R)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]butanamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](C(=O)N[C@@H](C)c2ccccc2)C(C)C)cc1
InChIInChI=1S/C20H26N2O3S/c1-14(2)19(20(23)21-16(4)17-8-6-5-7-9-17)22-26(24,25)18-12-10-15(3)11-13-18/h5-14,16,19,22H,1-4H3,(H,21,23)/t16-,19+/m0/s1
InChIKeyOFWNHQVEIPGDEQ-QFBILLFUSA-N
XLogP3.18
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]pentanamide
CID 126339303
(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]butanethioamide
CID 102421610
3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]-N-(1-phenylethyl)butanamide
CID 20868797
(2S)-3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]-N-[(1R)-1-phenylethyl]butanamide
CID 92666446
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methyl-N-(1-phenylethyl)butanamide
CID 55334515
N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-4-methylbenzenesulfonamide
CID 11162537
(2R)-3-methyl-2-[[4-(4-phenylphenyl)phenyl]sulfonylamino]butanoic acid
CID 71347191
(2S)-N-(4-amino-3-hydroxy-1,5-diphenylpentan-2-yl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide;hydrochloride
CID 22845588
(2S)-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 92645807
3-hydroxy-2-[(4-methylphenyl)sulfonylamino]-N-(1-naphthalen-1-ylethyl)butanamide
CID 112771331
(2R)-2-(iodoamino)-3-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 88940035
(2R,3S)-2-methyl-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 10991221

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]butanamide?
The IUPAC name of (2R)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]butanamide (CID 25496727) is (2R)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]butanamide.
What is the SMILES notation for (2R)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]butanamide?
The canonical SMILES for (2R)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]butanamide is Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N[C@@H](C)c2ccccc2)C(C)C)cc1.
What is the InChIKey of (2R)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]butanamide?
The InChIKey is OFWNHQVEIPGDEQ-QFBILLFUSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-14(2)19(20(23)21-16(4)17-8-6-5-7-9-17)22-26(24,25)18-12-10-15(3)11-13-18/h5-14,16,19,22H,1-4H3,(H,21,23)/t16-,19+/m0/s1.
What are the key properties of (2R)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]butanamide?
(2R)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]butanamide has a molecular weight of 374.51 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]butanamide is sourced from PubChem (CID 25496727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).