2-amino-4-methylsulfonyl-N-(3-phenylbutyl)butanamide

C15H24N2O3S — CID 62987343

IUPAC2-amino-4-methylsulfonyl-N-(3-phenylbutyl)butanamide
SMILESCC(CCNC(=O)C(N)CCS(C)(=O)=O)c1ccccc1
InChIInChI=1S/C15H24N2O3S/c1-12(13-6-4-3-5-7-13)8-10-17-15(18)14(16)9-11-21(2,19)20/h3-7,12,14H,8-11,16H2,1-2H3,(H,17,18)
InChIKeyPUTYSDUCDDCHJB-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.06
Rot. Bonds8

About 2-amino-4-methylsulfonyl-N-(3-phenylbutyl)butanamide

2-amino-4-methylsulfonyl-N-(3-phenylbutyl)butanamide (PubChem CID 62987343) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-amino-4-methylsulfonyl-N-(3-phenylbutyl)butanamide.

Molecular Properties

Compound Name2-amino-4-methylsulfonyl-N-(3-phenylbutyl)butanamide
PubChem CID62987343
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name2-amino-4-methylsulfonyl-N-(3-phenylbutyl)butanamide
SMILESCC(CCNC(=O)C(N)CCS(C)(=O)=O)c1ccccc1
InChIInChI=1S/C15H24N2O3S/c1-12(13-6-4-3-5-7-13)8-10-17-15(18)14(16)9-11-21(2,19)20/h3-7,12,14H,8-11,16H2,1-2H3,(H,17,18)
InChIKeyPUTYSDUCDDCHJB-UHFFFAOYSA-N
XLogP1.06
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2,2-diphenylethyl)-4-methylsulfonylbutanamide
CID 119956068
2-amino-4-methylsulfonyl-N-(1-phenylethyl)butanamide
CID 24699634
2-amino-N-(3-phenylbutyl)-2-thiophen-2-ylacetamide
CID 115287214
2-amino-N-[2-(2,6-dimethylphenoxy)ethyl]-4-methylsulfonylbutanamide
CID 119956740
N-(3-phenylbutyl)benzamide
CID 62403316
2-amino-N-(2,2-dimethyl-3-phenylpropyl)-4-methylsulfonylbutanamide;hydrochloride
CID 119957521
(2S)-2-amino-N-(2-phenylpropyl)butanamide;hydrochloride
CID 119270188
4-amino-N-(3-methylsulfonylpropyl)-4-phenylbutanamide
CID 63323905
2-amino-4-methylsulfonyl-N-[[4-(phenoxymethyl)phenyl]methyl]butanamide
CID 119956525
2-amino-N-ethyl-4-methylsulfonylbutanamide
CID 24697380
2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylsulfonylbutanamide
CID 43098583
1-amino-N-(3-phenylbutyl)cyclopropane-1-carboxamide
CID 65464091

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylsulfonyl-N-(3-phenylbutyl)butanamide?
The IUPAC name of 2-amino-4-methylsulfonyl-N-(3-phenylbutyl)butanamide (CID 62987343) is 2-amino-4-methylsulfonyl-N-(3-phenylbutyl)butanamide.
What is the SMILES notation for 2-amino-4-methylsulfonyl-N-(3-phenylbutyl)butanamide?
The canonical SMILES for 2-amino-4-methylsulfonyl-N-(3-phenylbutyl)butanamide is CC(CCNC(=O)C(N)CCS(C)(=O)=O)c1ccccc1.
What is the InChIKey of 2-amino-4-methylsulfonyl-N-(3-phenylbutyl)butanamide?
The InChIKey is PUTYSDUCDDCHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-12(13-6-4-3-5-7-13)8-10-17-15(18)14(16)9-11-21(2,19)20/h3-7,12,14H,8-11,16H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-4-methylsulfonyl-N-(3-phenylbutyl)butanamide?
2-amino-4-methylsulfonyl-N-(3-phenylbutyl)butanamide has a molecular weight of 312.44 g/mol, XLogP of 1.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylsulfonyl-N-(3-phenylbutyl)butanamide is sourced from PubChem (CID 62987343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).