2-amino-4-(4-methylphenyl)sulfanyl-2-phenylbutanamide

C17H20N2OS — CID 116694611

IUPAC2-amino-4-(4-methylphenyl)sulfanyl-2-phenylbutanamide
SMILESCc1ccc(SCCC(N)(C(N)=O)c2ccccc2)cc1
InChIInChI=1S/C17H20N2OS/c1-13-7-9-15(10-8-13)21-12-11-17(19,16(18)20)14-5-3-2-4-6-14/h2-10H,11-12,19H2,1H3,(H2,18,20)
InChIKeyKNUYTIHZJUFNCW-UHFFFAOYSA-N
MW300.43 g/mol
LogP2.82
Rot. Bonds6

About 2-amino-4-(4-methylphenyl)sulfanyl-2-phenylbutanamide

2-amino-4-(4-methylphenyl)sulfanyl-2-phenylbutanamide (PubChem CID 116694611) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 2-amino-4-(4-methylphenyl)sulfanyl-2-phenylbutanamide.

Molecular Properties

Compound Name2-amino-4-(4-methylphenyl)sulfanyl-2-phenylbutanamide
PubChem CID116694611
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name2-amino-4-(4-methylphenyl)sulfanyl-2-phenylbutanamide
SMILESCc1ccc(SCCC(N)(C(N)=O)c2ccccc2)cc1
InChIInChI=1S/C17H20N2OS/c1-13-7-9-15(10-8-13)21-12-11-17(19,16(18)20)14-5-3-2-4-6-14/h2-10H,11-12,19H2,1H3,(H2,18,20)
InChIKeyKNUYTIHZJUFNCW-UHFFFAOYSA-N
XLogP2.82
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-4-phenylsulfanylbutanamide
CID 142130509
2-amino-N-[2-(4-methylphenyl)sulfanylethyl]-2-phenylpropanamide
CID 120587289
2-amino-4-(1-methylimidazol-2-yl)sulfanyl-2-phenylbutanamide
CID 116694595
2-(methylamino)-2-phenyl-4-pyridin-4-ylsulfanylbutanamide
CID 116694816
methyl 2-amino-2-phenyl-4-pyrazin-2-ylsulfanylbutanoate
CID 116694735
2-(methylamino)-4-(4-methylphenyl)sulfanylbutanamide
CID 63034830
2-(4-methylphenyl)-4-phenylsulfanylbutanoic acid
CID 79435988
2-methyl-4-phenylsulfanylbutan-2-amine
CID 10584022
methyl 2-amino-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylbutanoate
CID 116694621
2-amino-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylpropanamide
CID 63466569
2-amino-3-[(2-methylphenyl)methylsulfanyl]-2-phenylpropanamide
CID 62770547
2-amino-4-(4-ethylpiperazin-1-yl)-2-phenylbutanamide
CID 116693503

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-methylphenyl)sulfanyl-2-phenylbutanamide?
The IUPAC name of 2-amino-4-(4-methylphenyl)sulfanyl-2-phenylbutanamide (CID 116694611) is 2-amino-4-(4-methylphenyl)sulfanyl-2-phenylbutanamide.
What is the SMILES notation for 2-amino-4-(4-methylphenyl)sulfanyl-2-phenylbutanamide?
The canonical SMILES for 2-amino-4-(4-methylphenyl)sulfanyl-2-phenylbutanamide is Cc1ccc(SCCC(N)(C(N)=O)c2ccccc2)cc1.
What is the InChIKey of 2-amino-4-(4-methylphenyl)sulfanyl-2-phenylbutanamide?
The InChIKey is KNUYTIHZJUFNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-13-7-9-15(10-8-13)21-12-11-17(19,16(18)20)14-5-3-2-4-6-14/h2-10H,11-12,19H2,1H3,(H2,18,20).
What are the key properties of 2-amino-4-(4-methylphenyl)sulfanyl-2-phenylbutanamide?
2-amino-4-(4-methylphenyl)sulfanyl-2-phenylbutanamide has a molecular weight of 300.43 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-methylphenyl)sulfanyl-2-phenylbutanamide is sourced from PubChem (CID 116694611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).