N-(2-chloro-6-methylphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

C13H16ClNOS — CID 107031797

IUPACN-(2-chloro-6-methylphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESCc1cccc(Cl)c1NC(=O)CC1(CS)CC1
InChIInChI=1S/C13H16ClNOS/c1-9-3-2-4-10(14)12(9)15-11(16)7-13(8-17)5-6-13/h2-4,17H,5-8H2,1H3,(H,15,16)
InChIKeyWFMUJHGVPCDAHP-UHFFFAOYSA-N
MW269.80 g/mol
LogP3.69
Rot. Bonds4

About N-(2-chloro-6-methylphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

N-(2-chloro-6-methylphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (PubChem CID 107031797) has the molecular formula C13H16ClNOS and a molecular weight of 269.80 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
PubChem CID107031797
Molecular FormulaC13H16ClNOS
Molecular Weight269.80 g/mol
Exact Mass269.06
IUPAC NameN-(2-chloro-6-methylphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESCc1cccc(Cl)c1NC(=O)CC1(CS)CC1
InChIInChI=1S/C13H16ClNOS/c1-9-3-2-4-10(14)12(9)15-11(16)7-13(8-17)5-6-13/h2-4,17H,5-8H2,1H3,(H,15,16)
InChIKeyWFMUJHGVPCDAHP-UHFFFAOYSA-N
XLogP3.69
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.80
LogP ≤ 53.69
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-(2,5-dichloro-4-methylphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107034934
[2-(2-chloro-6-methylanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-dimethylazanium
CID 20801
N-[(2-methylphenyl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107023566
N-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832627
N-(2-chloro-6-methylphenyl)-2-[di(propan-2-yl)amino]acetamide;hydrochloride
CID 138402190
2-[[(2S)-butan-2-yl]amino]-N-(2-chloro-6-methylphenyl)acetamide
CID 124514697
2-(azetidin-3-yl)-N-(2-chloro-6-methylphenyl)acetamide
CID 66254744
3-amino-N-(2-chloro-6-methylphenyl)butanamide;hydrochloride
CID 12546926
2-(4-aminophenyl)-N-(2-chloro-6-methylphenyl)acetamide
CID 66253342
1-amino-N-(2-chloro-6-methylphenyl)cyclobutane-1-carboxamide
CID 81169248
N-(2-chloro-6-methylphenyl)-1-phenylcyclopentane-1-carboxamide
CID 4060747
N-(2,6-dichlorophenyl)-2-sulfanylacetamide
CID 14567957

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (CID 107031797) is N-(2-chloro-6-methylphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is Cc1cccc(Cl)c1NC(=O)CC1(CS)CC1.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The InChIKey is WFMUJHGVPCDAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNOS/c1-9-3-2-4-10(14)12(9)15-11(16)7-13(8-17)5-6-13/h2-4,17H,5-8H2,1H3,(H,15,16).
What are the key properties of N-(2-chloro-6-methylphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
N-(2-chloro-6-methylphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide has a molecular weight of 269.80 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is sourced from PubChem (CID 107031797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).