N-(2-methyl-3-sulfanylphenyl)pentanamide

C12H17NOS — CID 4713033

IUPACN-(2-methyl-3-sulfanylphenyl)pentanamide
SMILESCCCCC(=O)Nc1cccc(S)c1C
InChIInChI=1S/C12H17NOS/c1-3-4-8-12(14)13-10-6-5-7-11(15)9(10)2/h5-7,15H,3-4,8H2,1-2H3,(H,13,14)
InChIKeyJGTMPSNZMDJYQN-UHFFFAOYSA-N
MW223.34 g/mol
LogP3.41
Rot. Bonds4

About N-(2-methyl-3-sulfanylphenyl)pentanamide

N-(2-methyl-3-sulfanylphenyl)pentanamide (PubChem CID 4713033) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is N-(2-methyl-3-sulfanylphenyl)pentanamide.

Molecular Properties

Compound NameN-(2-methyl-3-sulfanylphenyl)pentanamide
PubChem CID4713033
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC NameN-(2-methyl-3-sulfanylphenyl)pentanamide
SMILESCCCCC(=O)Nc1cccc(S)c1C
InChIInChI=1S/C12H17NOS/c1-3-4-8-12(14)13-10-6-5-7-11(15)9(10)2/h5-7,15H,3-4,8H2,1-2H3,(H,13,14)
InChIKeyJGTMPSNZMDJYQN-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
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

N-(3-hydroxy-2-methylphenyl)pentanamide
CID 64792889
N-(3-hydroxy-2-methylphenyl)decanamide
CID 65426726
N-(2,3-dimethylphenyl)dodecanamide
CID 4198682
N-[3-(butanoylamino)-2-methylphenyl]-4-(methylamino)butanamide
CID 119747442
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
N-(3-chloro-2-methylphenyl)-4-oxo-4-(2-tetradecanoylhydrazinyl)butanamide
CID 54791904
N,N'-bis(3-chloro-2-methylphenyl)decanediamide
CID 17080098
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
N-(2-butyl-3-ethylphenyl)butanamide
CID 71106739
N-naphthalen-1-yldodecanamide
CID 588517
2-chloro-6-(pentanoylamino)benzoic acid
CID 55231346
N-(3-amino-2-methylphenyl)-4-propoxybutanamide
CID 43247848

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-sulfanylphenyl)pentanamide?
The IUPAC name of N-(2-methyl-3-sulfanylphenyl)pentanamide (CID 4713033) is N-(2-methyl-3-sulfanylphenyl)pentanamide.
What is the SMILES notation for N-(2-methyl-3-sulfanylphenyl)pentanamide?
The canonical SMILES for N-(2-methyl-3-sulfanylphenyl)pentanamide is CCCCC(=O)Nc1cccc(S)c1C.
What is the InChIKey of N-(2-methyl-3-sulfanylphenyl)pentanamide?
The InChIKey is JGTMPSNZMDJYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-3-4-8-12(14)13-10-6-5-7-11(15)9(10)2/h5-7,15H,3-4,8H2,1-2H3,(H,13,14).
What are the key properties of N-(2-methyl-3-sulfanylphenyl)pentanamide?
N-(2-methyl-3-sulfanylphenyl)pentanamide has a molecular weight of 223.34 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-sulfanylphenyl)pentanamide is sourced from PubChem (CID 4713033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).