4-[(2-chlorophenyl)methylsulfanyl]-2-(cyclopropylamino)-2-methylpentanamide

C16H23ClN2OS — CID 103289605

IUPAC4-[(2-chlorophenyl)methylsulfanyl]-2-(cyclopropylamino)-2-methylpentanamide
SMILESCC(CC(C)(NC1CC1)C(N)=O)SCc1ccccc1Cl
InChIInChI=1S/C16H23ClN2OS/c1-11(21-10-12-5-3-4-6-14(12)17)9-16(2,15(18)20)19-13-7-8-13/h3-6,11,13,19H,7-10H2,1-2H3,(H2,18,20)
InChIKeyQQJRUAAYEUKNMK-UHFFFAOYSA-N
MW326.89 g/mol
LogP3.35
Rot. Bonds8

About 4-[(2-chlorophenyl)methylsulfanyl]-2-(cyclopropylamino)-2-methylpentanamide

4-[(2-chlorophenyl)methylsulfanyl]-2-(cyclopropylamino)-2-methylpentanamide (PubChem CID 103289605) has the molecular formula C16H23ClN2OS and a molecular weight of 326.89 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methylsulfanyl]-2-(cyclopropylamino)-2-methylpentanamide.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methylsulfanyl]-2-(cyclopropylamino)-2-methylpentanamide
PubChem CID103289605
Molecular FormulaC16H23ClN2OS
Molecular Weight326.89 g/mol
Exact Mass326.12
IUPAC Name4-[(2-chlorophenyl)methylsulfanyl]-2-(cyclopropylamino)-2-methylpentanamide
SMILESCC(CC(C)(NC1CC1)C(N)=O)SCc1ccccc1Cl
InChIInChI=1S/C16H23ClN2OS/c1-11(21-10-12-5-3-4-6-14(12)17)9-16(2,15(18)20)19-13-7-8-13/h3-6,11,13,19H,7-10H2,1-2H3,(H2,18,20)
InChIKeyQQJRUAAYEUKNMK-UHFFFAOYSA-N
XLogP3.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.89
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzylsulfanyl-2-(cyclopropylamino)-2-methylpentanamide
CID 64709096
(2R)-2-[(2-chlorophenyl)methylsulfanyl]-N-cyclopropylpropanamide
CID 95579036
4-[(2-chlorophenyl)methylsulfanyl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 103291384
2-(cyclopropylamino)-4-(3,4-difluorophenyl)sulfanyl-2-methylpentanamide
CID 64709642
3-[(2-chlorophenyl)methylsulfanyl]-2-methyl-2-(methylamino)propanamide
CID 103289753
4-benzylsulfanyl-2-methyl-2-(methylamino)pentanamide
CID 64710846
methyl 2-[(2-chlorophenyl)methylsulfanyl]propanoate
CID 78842701
methyl 3-[(2-chlorophenyl)methylsulfanyl]-2-methylbutanoate
CID 103287985
2-(cyclopropylamino)-3-(1,3-dihydroisoindol-2-yl)-2-methylpropanamide
CID 62230821
2-(cyclopentylamino)-3-(2-fluorophenyl)-2-methylpropanamide
CID 114831945
2-[(2-chlorophenyl)methylsulfanyl]-N-[(1S)-1-cyclohexylethyl]-2-methylpropanamide
CID 11681891
3-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)-2-methylpropanamide
CID 62647394

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methylsulfanyl]-2-(cyclopropylamino)-2-methylpentanamide?
The IUPAC name of 4-[(2-chlorophenyl)methylsulfanyl]-2-(cyclopropylamino)-2-methylpentanamide (CID 103289605) is 4-[(2-chlorophenyl)methylsulfanyl]-2-(cyclopropylamino)-2-methylpentanamide.
What is the SMILES notation for 4-[(2-chlorophenyl)methylsulfanyl]-2-(cyclopropylamino)-2-methylpentanamide?
The canonical SMILES for 4-[(2-chlorophenyl)methylsulfanyl]-2-(cyclopropylamino)-2-methylpentanamide is CC(CC(C)(NC1CC1)C(N)=O)SCc1ccccc1Cl.
What is the InChIKey of 4-[(2-chlorophenyl)methylsulfanyl]-2-(cyclopropylamino)-2-methylpentanamide?
The InChIKey is QQJRUAAYEUKNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2OS/c1-11(21-10-12-5-3-4-6-14(12)17)9-16(2,15(18)20)19-13-7-8-13/h3-6,11,13,19H,7-10H2,1-2H3,(H2,18,20).
What are the key properties of 4-[(2-chlorophenyl)methylsulfanyl]-2-(cyclopropylamino)-2-methylpentanamide?
4-[(2-chlorophenyl)methylsulfanyl]-2-(cyclopropylamino)-2-methylpentanamide has a molecular weight of 326.89 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methylsulfanyl]-2-(cyclopropylamino)-2-methylpentanamide is sourced from PubChem (CID 103289605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).