(2R)-2-(N-methylsulfonylanilino)-N-[(2R)-4-phenylbutan-2-yl]butanamide

C21H28N2O3S — CID 93267392

IUPAC(2R)-2-(N-methylsulfonylanilino)-N-[(2R)-4-phenylbutan-2-yl]butanamide
SMILESCC[C@H](C(=O)N[C@H](C)CCc1ccccc1)N(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C21H28N2O3S/c1-4-20(23(27(3,25)26)19-13-9-6-10-14-19)21(24)22-17(2)15-16-18-11-7-5-8-12-18/h5-14,17,20H,4,15-16H2,1-3H3,(H,22,24)/t17-,20-/m1/s1
InChIKeyGNDHVRQBUJEMNH-YLJYHZDGSA-N
MW388.53 g/mol
LogP3.37
Rot. Bonds9

About (2R)-2-(N-methylsulfonylanilino)-N-[(2R)-4-phenylbutan-2-yl]butanamide

(2R)-2-(N-methylsulfonylanilino)-N-[(2R)-4-phenylbutan-2-yl]butanamide (PubChem CID 93267392) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is (2R)-2-(N-methylsulfonylanilino)-N-[(2R)-4-phenylbutan-2-yl]butanamide.

Molecular Properties

Compound Name(2R)-2-(N-methylsulfonylanilino)-N-[(2R)-4-phenylbutan-2-yl]butanamide
PubChem CID93267392
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC Name(2R)-2-(N-methylsulfonylanilino)-N-[(2R)-4-phenylbutan-2-yl]butanamide
SMILESCC[C@H](C(=O)N[C@H](C)CCc1ccccc1)N(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C21H28N2O3S/c1-4-20(23(27(3,25)26)19-13-9-6-10-14-19)21(24)22-17(2)15-16-18-11-7-5-8-12-18/h5-14,17,20H,4,15-16H2,1-3H3,(H,22,24)/t17-,20-/m1/s1
InChIKeyGNDHVRQBUJEMNH-YLJYHZDGSA-N
XLogP3.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(4-phenylbutan-2-yl)butanamide
CID 132671099
(2R)-2-(N-methylsulfonylanilino)-4-phenylbutanoic acid
CID 67452560
(2S)-2-(N-methylsulfonylanilino)-N-[(1R)-1-phenylpropyl]butanamide
CID 92673390
(2S)-2-(4-methyl-N-methylsulfonylanilino)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 125042380
(2S)-N-[(1R)-3-methyl-1-phenylbutyl]-2-(N-methylsulfonylanilino)butanamide
CID 93165371
(2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(N-methylsulfonylanilino)butanamide
CID 93486268
(2S)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(N-methylsulfonylanilino)butanamide
CID 125054358
(2S)-N-[(R)-(4-methylphenyl)-phenylmethyl]-2-(N-methylsulfonylanilino)butanamide
CID 93156147
2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]butanamide
CID 46741650
(2R)-2-bromo-N-[(2R)-4-phenylbutan-2-yl]butanamide
CID 51660002
N-[(3-fluorophenyl)methyl]-2-(N-methylsulfonylanilino)butanamide
CID 53282957
2-(N-methylsulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 53282926

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(N-methylsulfonylanilino)-N-[(2R)-4-phenylbutan-2-yl]butanamide?
The IUPAC name of (2R)-2-(N-methylsulfonylanilino)-N-[(2R)-4-phenylbutan-2-yl]butanamide (CID 93267392) is (2R)-2-(N-methylsulfonylanilino)-N-[(2R)-4-phenylbutan-2-yl]butanamide.
What is the SMILES notation for (2R)-2-(N-methylsulfonylanilino)-N-[(2R)-4-phenylbutan-2-yl]butanamide?
The canonical SMILES for (2R)-2-(N-methylsulfonylanilino)-N-[(2R)-4-phenylbutan-2-yl]butanamide is CC[C@H](C(=O)N[C@H](C)CCc1ccccc1)N(c1ccccc1)S(C)(=O)=O.
What is the InChIKey of (2R)-2-(N-methylsulfonylanilino)-N-[(2R)-4-phenylbutan-2-yl]butanamide?
The InChIKey is GNDHVRQBUJEMNH-YLJYHZDGSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-4-20(23(27(3,25)26)19-13-9-6-10-14-19)21(24)22-17(2)15-16-18-11-7-5-8-12-18/h5-14,17,20H,4,15-16H2,1-3H3,(H,22,24)/t17-,20-/m1/s1.
What are the key properties of (2R)-2-(N-methylsulfonylanilino)-N-[(2R)-4-phenylbutan-2-yl]butanamide?
(2R)-2-(N-methylsulfonylanilino)-N-[(2R)-4-phenylbutan-2-yl]butanamide has a molecular weight of 388.53 g/mol, XLogP of 3.37, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(N-methylsulfonylanilino)-N-[(2R)-4-phenylbutan-2-yl]butanamide is sourced from PubChem (CID 93267392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).