(2R)-2-amino-N-(4-butan-2-ylphenyl)-4-methylsulfanylbutanamide

C15H24N2OS — CID 104907160

IUPAC(2R)-2-amino-N-(4-butan-2-ylphenyl)-4-methylsulfanylbutanamide
SMILESCCC(C)c1ccc(NC(=O)[C@H](N)CCSC)cc1
InChIInChI=1S/C15H24N2OS/c1-4-11(2)12-5-7-13(8-6-12)17-15(18)14(16)9-10-19-3/h5-8,11,14H,4,9-10,16H2,1-3H3,(H,17,18)/t11?,14-/m1/s1
InChIKeyIRZBOKVQUIZYLL-SBXXRYSUSA-N
MW280.44 g/mol
LogP3.22
Rot. Bonds7

About (2R)-2-amino-N-(4-butan-2-ylphenyl)-4-methylsulfanylbutanamide

(2R)-2-amino-N-(4-butan-2-ylphenyl)-4-methylsulfanylbutanamide (PubChem CID 104907160) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is (2R)-2-amino-N-(4-butan-2-ylphenyl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(4-butan-2-ylphenyl)-4-methylsulfanylbutanamide
PubChem CID104907160
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name(2R)-2-amino-N-(4-butan-2-ylphenyl)-4-methylsulfanylbutanamide
SMILESCCC(C)c1ccc(NC(=O)[C@H](N)CCSC)cc1
InChIInChI=1S/C15H24N2OS/c1-4-11(2)12-5-7-13(8-6-12)17-15(18)14(16)9-10-19-3/h5-8,11,14H,4,9-10,16H2,1-3H3,(H,17,18)/t11?,14-/m1/s1
InChIKeyIRZBOKVQUIZYLL-SBXXRYSUSA-N
XLogP3.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-4-methylsulfanyl-N-[4-(propanoylamino)phenyl]butanamide
CID 61179133
N-[4-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]phenyl]-3-methylbutanamide;hydrochloride
CID 119278734
ethyl N-[4-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]phenyl]carbamate
CID 104907269
(2R)-2-amino-N-[4-(ethylsulfonylamino)phenyl]-4-methylsulfanylbutanamide
CID 104907564
4-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-N-propan-2-ylbenzamide
CID 61180699
(2S)-2-amino-4-methylsulfanyl-N-[4-(propan-2-yloxymethyl)phenyl]butanamide
CID 119300044
(2S)-2-amino-4-methylsulfanyl-N-pyridin-4-ylbutanamide
CID 61148006
4-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-N-propan-2-ylbenzamide;hydrochloride
CID 119298483
(2R)-2-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-4-methylsulfanylbutanamide
CID 104907289
4-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-N,N-dimethylbenzamide
CID 104907166
2-amino-N-(4-butan-2-ylphenyl)-3-methylpentanamide
CID 43702138
(2S)-N-[4-[(2S)-butan-2-yl]phenyl]-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanamide
CID 7993629

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(4-butan-2-ylphenyl)-4-methylsulfanylbutanamide?
The IUPAC name of (2R)-2-amino-N-(4-butan-2-ylphenyl)-4-methylsulfanylbutanamide (CID 104907160) is (2R)-2-amino-N-(4-butan-2-ylphenyl)-4-methylsulfanylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(4-butan-2-ylphenyl)-4-methylsulfanylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(4-butan-2-ylphenyl)-4-methylsulfanylbutanamide is CCC(C)c1ccc(NC(=O)[C@H](N)CCSC)cc1.
What is the InChIKey of (2R)-2-amino-N-(4-butan-2-ylphenyl)-4-methylsulfanylbutanamide?
The InChIKey is IRZBOKVQUIZYLL-SBXXRYSUSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-4-11(2)12-5-7-13(8-6-12)17-15(18)14(16)9-10-19-3/h5-8,11,14H,4,9-10,16H2,1-3H3,(H,17,18)/t11?,14-/m1/s1.
What are the key properties of (2R)-2-amino-N-(4-butan-2-ylphenyl)-4-methylsulfanylbutanamide?
(2R)-2-amino-N-(4-butan-2-ylphenyl)-4-methylsulfanylbutanamide has a molecular weight of 280.44 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(4-butan-2-ylphenyl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 104907160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).