N-(5-chloro-4-methylpentyl)-2-phenylsulfanylacetamide

C14H20ClNOS — CID 106156966

IUPACN-(5-chloro-4-methylpentyl)-2-phenylsulfanylacetamide
SMILESCC(CCl)CCCNC(=O)CSc1ccccc1
InChIInChI=1S/C14H20ClNOS/c1-12(10-15)6-5-9-16-14(17)11-18-13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11H2,1H3,(H,16,17)
InChIKeyVLXRMANCMXODNW-UHFFFAOYSA-N
MW285.84 g/mol
LogP3.55
Rot. Bonds8

About N-(5-chloro-4-methylpentyl)-2-phenylsulfanylacetamide

N-(5-chloro-4-methylpentyl)-2-phenylsulfanylacetamide (PubChem CID 106156966) has the molecular formula C14H20ClNOS and a molecular weight of 285.84 g/mol. Its IUPAC name is N-(5-chloro-4-methylpentyl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(5-chloro-4-methylpentyl)-2-phenylsulfanylacetamide
PubChem CID106156966
Molecular FormulaC14H20ClNOS
Molecular Weight285.84 g/mol
Exact Mass285.10
IUPAC NameN-(5-chloro-4-methylpentyl)-2-phenylsulfanylacetamide
SMILESCC(CCl)CCCNC(=O)CSc1ccccc1
InChIInChI=1S/C14H20ClNOS/c1-12(10-15)6-5-9-16-14(17)11-18-13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11H2,1H3,(H,16,17)
InChIKeyVLXRMANCMXODNW-UHFFFAOYSA-N
XLogP3.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.84
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminobutyl)-2-phenylsulfanylacetamide
CID 63253683
N-(3-bromopropyl)-2-phenylsulfanylacetamide
CID 69178614
2-(2-chlorophenyl)sulfanyl-N-(5-hydroxy-4-methylpentyl)acetamide
CID 103862035
N-(3-phenylpropyl)-2-phenylsulfanylacetamide
CID 2098867
N-(4-hydroxy-2-methylbutyl)-2-phenylsulfanylacetamide
CID 66107710
7-[(2-phenylsulfanylacetyl)amino]heptanoic acid
CID 43240079
N-(3-hydroxy-3-phenylpropyl)-2-phenylsulfanylacetamide
CID 111471528
N-[(2S)-2-hydroxypropyl]-2-phenylsulfanylacetamide
CID 83029625
N-[2-methyl-3-(methylamino)propyl]-2-phenylsulfanylacetamide
CID 81479553
N-(2-aminopropyl)-2-phenylsulfanylacetamide
CID 63731692
N-[(2R)-3-methylbutan-2-yl]-2-phenylsulfanylacetamide
CID 94223671
N-(4-hydroxypentyl)-4-phenylsulfanylbutanamide
CID 107300336

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-methylpentyl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(5-chloro-4-methylpentyl)-2-phenylsulfanylacetamide (CID 106156966) is N-(5-chloro-4-methylpentyl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(5-chloro-4-methylpentyl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(5-chloro-4-methylpentyl)-2-phenylsulfanylacetamide is CC(CCl)CCCNC(=O)CSc1ccccc1.
What is the InChIKey of N-(5-chloro-4-methylpentyl)-2-phenylsulfanylacetamide?
The InChIKey is VLXRMANCMXODNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNOS/c1-12(10-15)6-5-9-16-14(17)11-18-13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11H2,1H3,(H,16,17).
What are the key properties of N-(5-chloro-4-methylpentyl)-2-phenylsulfanylacetamide?
N-(5-chloro-4-methylpentyl)-2-phenylsulfanylacetamide has a molecular weight of 285.84 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-4-methylpentyl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 106156966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).