4-cyclohexylsulfanyl-2-(methylamino)-2-phenylbutanamide

C17H26N2OS — CID 116694645

IUPAC4-cyclohexylsulfanyl-2-(methylamino)-2-phenylbutanamide
SMILESCNC(CCSC1CCCCC1)(C(N)=O)c1ccccc1
InChIInChI=1S/C17H26N2OS/c1-19-17(16(18)20,14-8-4-2-5-9-14)12-13-21-15-10-6-3-7-11-15/h2,4-5,8-9,15,19H,3,6-7,10-13H2,1H3,(H2,18,20)
InChIKeyMURAFCRNNZKWSY-UHFFFAOYSA-N
MW306.47 g/mol
LogP3.04
Rot. Bonds7

About 4-cyclohexylsulfanyl-2-(methylamino)-2-phenylbutanamide

4-cyclohexylsulfanyl-2-(methylamino)-2-phenylbutanamide (PubChem CID 116694645) has the molecular formula C17H26N2OS and a molecular weight of 306.47 g/mol. Its IUPAC name is 4-cyclohexylsulfanyl-2-(methylamino)-2-phenylbutanamide.

Molecular Properties

Compound Name4-cyclohexylsulfanyl-2-(methylamino)-2-phenylbutanamide
PubChem CID116694645
Molecular FormulaC17H26N2OS
Molecular Weight306.47 g/mol
Exact Mass306.18
IUPAC Name4-cyclohexylsulfanyl-2-(methylamino)-2-phenylbutanamide
SMILESCNC(CCSC1CCCCC1)(C(N)=O)c1ccccc1
InChIInChI=1S/C17H26N2OS/c1-19-17(16(18)20,14-8-4-2-5-9-14)12-13-21-15-10-6-3-7-11-15/h2,4-5,8-9,15,19H,3,6-7,10-13H2,1H3,(H2,18,20)
InChIKeyMURAFCRNNZKWSY-UHFFFAOYSA-N
XLogP3.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-4-(oxan-4-ylsulfanyl)-2-phenylbutanoic acid
CID 116694719
4-cyclopentylsulfanyl-2-(methylamino)-2-phenylbutan-1-ol
CID 116695614
2-(methylamino)-2-phenyl-4-pyridin-4-ylsulfanylbutanamide
CID 116694816
4-tert-butylsulfanyl-2-(cyclopropylamino)-2-phenylbutanamide
CID 116694565
4-[1-cyclopropylethyl(methyl)amino]-2-(methylamino)-2-phenylbutanamide
CID 116693758
4-(oxetan-3-ylsulfanyl)-2-phenyl-2-(propylamino)butanoic acid
CID 116694802
4-(3-methoxypyrrolidin-1-yl)-2-(methylamino)-2-phenylbutanamide
CID 103538046
4-(2-ethoxyethoxy)-2-(methylamino)-2-phenylbutanamide
CID 116694151
2-(ethylamino)-3-(oxan-4-ylsulfanyl)-2-phenylpropanamide
CID 62991235
4-butylsulfanyl-2-phenyl-2-(propylamino)butanamide
CID 116694445
2-(cyclopentylamino)-3-methoxy-2-phenylpropanamide
CID 103464910
2-(methylamino)-4-[methyl(2-methylpropyl)amino]-2-phenylbutanamide
CID 116693625

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylsulfanyl-2-(methylamino)-2-phenylbutanamide?
The IUPAC name of 4-cyclohexylsulfanyl-2-(methylamino)-2-phenylbutanamide (CID 116694645) is 4-cyclohexylsulfanyl-2-(methylamino)-2-phenylbutanamide.
What is the SMILES notation for 4-cyclohexylsulfanyl-2-(methylamino)-2-phenylbutanamide?
The canonical SMILES for 4-cyclohexylsulfanyl-2-(methylamino)-2-phenylbutanamide is CNC(CCSC1CCCCC1)(C(N)=O)c1ccccc1.
What is the InChIKey of 4-cyclohexylsulfanyl-2-(methylamino)-2-phenylbutanamide?
The InChIKey is MURAFCRNNZKWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-19-17(16(18)20,14-8-4-2-5-9-14)12-13-21-15-10-6-3-7-11-15/h2,4-5,8-9,15,19H,3,6-7,10-13H2,1H3,(H2,18,20).
What are the key properties of 4-cyclohexylsulfanyl-2-(methylamino)-2-phenylbutanamide?
4-cyclohexylsulfanyl-2-(methylamino)-2-phenylbutanamide has a molecular weight of 306.47 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylsulfanyl-2-(methylamino)-2-phenylbutanamide is sourced from PubChem (CID 116694645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).