4-methyl-N-phenyl-2-sulfanylpentanamide

C12H17NOS — CID 162738947

IUPAC4-methyl-N-phenyl-2-sulfanylpentanamide
SMILESCC(C)CC(S)C(=O)Nc1ccccc1
InChIInChI=1S/C12H17NOS/c1-9(2)8-11(15)12(14)13-10-6-4-3-5-7-10/h3-7,9,11,15H,8H2,1-2H3,(H,13,14)
InChIKeyXDYLGFWITBCTJK-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.97
Rot. Bonds4

About 4-methyl-N-phenyl-2-sulfanylpentanamide

4-methyl-N-phenyl-2-sulfanylpentanamide (PubChem CID 162738947) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 4-methyl-N-phenyl-2-sulfanylpentanamide.

Molecular Properties

Compound Name4-methyl-N-phenyl-2-sulfanylpentanamide
PubChem CID162738947
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name4-methyl-N-phenyl-2-sulfanylpentanamide
SMILESCC(C)CC(S)C(=O)Nc1ccccc1
InChIInChI=1S/C12H17NOS/c1-9(2)8-11(15)12(14)13-10-6-4-3-5-7-10/h3-7,9,11,15H,8H2,1-2H3,(H,13,14)
InChIKeyXDYLGFWITBCTJK-UHFFFAOYSA-N
XLogP2.97
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-isocyano-4-methyl-N-phenylpentanamide
CID 71322028
(2S)-2-[[(1S)-3-methyl-1-phenylbutyl]amino]-N-phenylpropanamide
CID 8645970
4-chloro-2-methyl-3-oxo-N-phenylbutanamide
CID 21287643
1-(5-methylhexan-3-yl)-3-phenylurea
CID 19835712
(2S)-2-amino-N-(1-anilino-1-oxopropan-2-yl)-4-methylpentanamide;hydrochloride
CID 119785060
(2R)-2-amino-N-phenylpropanamide
CID 10607114
2,4-diacetyl-N,N'-diphenylpentanediamide
CID 5218868
(2R)-4-methyl-2-(4-methyl-2-oxopentoxy)-N-phenylpentanamide
CID 157220940
2-[(2-amino-2-methylpropanoyl)amino]-4-methyl-N-phenylpentanamide
CID 67891223
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-phenylbenzamide
CID 119756457
(2R)-2-methoxy-N-phenylpropanamide
CID 11805321
2-(1-anilino-1-oxopropan-2-yl)oxy-N-phenylpropanamide
CID 141218606

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-phenyl-2-sulfanylpentanamide?
The IUPAC name of 4-methyl-N-phenyl-2-sulfanylpentanamide (CID 162738947) is 4-methyl-N-phenyl-2-sulfanylpentanamide.
What is the SMILES notation for 4-methyl-N-phenyl-2-sulfanylpentanamide?
The canonical SMILES for 4-methyl-N-phenyl-2-sulfanylpentanamide is CC(C)CC(S)C(=O)Nc1ccccc1.
What is the InChIKey of 4-methyl-N-phenyl-2-sulfanylpentanamide?
The InChIKey is XDYLGFWITBCTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-9(2)8-11(15)12(14)13-10-6-4-3-5-7-10/h3-7,9,11,15H,8H2,1-2H3,(H,13,14).
What are the key properties of 4-methyl-N-phenyl-2-sulfanylpentanamide?
4-methyl-N-phenyl-2-sulfanylpentanamide has a molecular weight of 223.34 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-phenyl-2-sulfanylpentanamide is sourced from PubChem (CID 162738947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).