(2S)-2-(N-methylsulfonylanilino)-N-[(1R)-1-phenylpropyl]butanamide

C20H26N2O3S — CID 92673390

IUPAC(2S)-2-(N-methylsulfonylanilino)-N-[(1R)-1-phenylpropyl]butanamide
SMILESCC[C@@H](NC(=O)[C@H](CC)N(c1ccccc1)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C20H26N2O3S/c1-4-18(16-12-8-6-9-13-16)21-20(23)19(5-2)22(26(3,24)25)17-14-10-7-11-15-17/h6-15,18-19H,4-5H2,1-3H3,(H,21,23)/t18-,19+/m1/s1
InChIKeyBAYMGPGXTMPWLW-MOPGFXCFSA-N
MW374.51 g/mol
LogP3.50
Rot. Bonds8

About (2S)-2-(N-methylsulfonylanilino)-N-[(1R)-1-phenylpropyl]butanamide

(2S)-2-(N-methylsulfonylanilino)-N-[(1R)-1-phenylpropyl]butanamide (PubChem CID 92673390) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is (2S)-2-(N-methylsulfonylanilino)-N-[(1R)-1-phenylpropyl]butanamide.

Molecular Properties

Compound Name(2S)-2-(N-methylsulfonylanilino)-N-[(1R)-1-phenylpropyl]butanamide
PubChem CID92673390
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name(2S)-2-(N-methylsulfonylanilino)-N-[(1R)-1-phenylpropyl]butanamide
SMILESCC[C@@H](NC(=O)[C@H](CC)N(c1ccccc1)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C20H26N2O3S/c1-4-18(16-12-8-6-9-13-16)21-20(23)19(5-2)22(26(3,24)25)17-14-10-7-11-15-17/h6-15,18-19H,4-5H2,1-3H3,(H,21,23)/t18-,19+/m1/s1
InChIKeyBAYMGPGXTMPWLW-MOPGFXCFSA-N
XLogP3.50
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(1R)-3-methyl-1-phenylbutyl]-2-(N-methylsulfonylanilino)butanamide
CID 93165371
2-(3-chloro-N-methylsulfonylanilino)-N-(1-phenylpropyl)butanamide
CID 46770366
(2R)-2-(3-chloro-N-methylsulfonylanilino)-N-[(1S)-1-phenylpropyl]butanamide
CID 94016258
(2S)-N-[(R)-(4-methylphenyl)-phenylmethyl]-2-(N-methylsulfonylanilino)butanamide
CID 93156147
(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)propyl]butanamide
CID 92677182
(2R)-2-(3-chloro-N-methylsulfonylanilino)-N-[(1R)-3-methyl-1-phenylbutyl]butanamide
CID 93165363
(2S)-2-(4-methyl-N-methylsulfonylanilino)-N-[(1S)-1-phenylpropyl]propanamide
CID 99956482
2-(3-chloro-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]butanamide
CID 46763633
(2S)-2-(3-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)propyl]butanamide
CID 94012383
(2R)-2-(N-methylsulfonylanilino)-N-[(2R)-4-phenylbutan-2-yl]butanamide
CID 93267392
(2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(N-methylsulfonylanilino)butanamide
CID 93486268
2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]butanamide
CID 46741650

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(N-methylsulfonylanilino)-N-[(1R)-1-phenylpropyl]butanamide?
The IUPAC name of (2S)-2-(N-methylsulfonylanilino)-N-[(1R)-1-phenylpropyl]butanamide (CID 92673390) is (2S)-2-(N-methylsulfonylanilino)-N-[(1R)-1-phenylpropyl]butanamide.
What is the SMILES notation for (2S)-2-(N-methylsulfonylanilino)-N-[(1R)-1-phenylpropyl]butanamide?
The canonical SMILES for (2S)-2-(N-methylsulfonylanilino)-N-[(1R)-1-phenylpropyl]butanamide is CC[C@@H](NC(=O)[C@H](CC)N(c1ccccc1)S(C)(=O)=O)c1ccccc1.
What is the InChIKey of (2S)-2-(N-methylsulfonylanilino)-N-[(1R)-1-phenylpropyl]butanamide?
The InChIKey is BAYMGPGXTMPWLW-MOPGFXCFSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-4-18(16-12-8-6-9-13-16)21-20(23)19(5-2)22(26(3,24)25)17-14-10-7-11-15-17/h6-15,18-19H,4-5H2,1-3H3,(H,21,23)/t18-,19+/m1/s1.
What are the key properties of (2S)-2-(N-methylsulfonylanilino)-N-[(1R)-1-phenylpropyl]butanamide?
(2S)-2-(N-methylsulfonylanilino)-N-[(1R)-1-phenylpropyl]butanamide has a molecular weight of 374.51 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(N-methylsulfonylanilino)-N-[(1R)-1-phenylpropyl]butanamide is sourced from PubChem (CID 92673390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).