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

C14H19NOS — CID 107023566

IUPACN-[(2-methylphenyl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESCc1ccccc1CNC(=O)CC1(CS)CC1
InChIInChI=1S/C14H19NOS/c1-11-4-2-3-5-12(11)9-15-13(16)8-14(10-17)6-7-14/h2-5,17H,6-10H2,1H3,(H,15,16)
InChIKeyXFUBSLRJQCIMEI-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.71
Rot. Bonds5

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

N-[(2-methylphenyl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (PubChem CID 107023566) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
PubChem CID107023566
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC NameN-[(2-methylphenyl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESCc1ccccc1CNC(=O)CC1(CS)CC1
InChIInChI=1S/C14H19NOS/c1-11-4-2-3-5-12(11)9-15-13(16)8-14(10-17)6-7-14/h2-5,17H,6-10H2,1H3,(H,15,16)
InChIKeyXFUBSLRJQCIMEI-UHFFFAOYSA-N
XLogP2.71
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.71
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

1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43402226
1-N,1-N'-bis[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974899
(E)-3-methyl-N-[(2-methylphenyl)methyl]-4-sulfanylbut-3-enamide
CID 178170772
2-chloro-N-[(2-methylphenyl)methyl]acetamide
CID 9291148
N-[(2-methylphenyl)methyl]-2-[(2-methylphenyl)methylamino]acetamide
CID 108996489
3,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide
CID 110755430
N-[(2-methylphenyl)methyl]-2-(2-methylphenyl)sulfanylacetamide
CID 9104654
1-methyl-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 134107417
1-amino-N-[(2-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119270631
2-ethoxy-N-[(2-methylphenyl)methyl]acetamide
CID 60646213
N-[(2-methylphenyl)methyl]-N'-(2-methylpropyl)propanediamide
CID 108941562
N-[4-[(2-methylphenyl)methylcarbamoylamino]phenyl]acetamide
CID 108897103

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (CID 107023566) is N-[(2-methylphenyl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is Cc1ccccc1CNC(=O)CC1(CS)CC1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The InChIKey is XFUBSLRJQCIMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c1-11-4-2-3-5-12(11)9-15-13(16)8-14(10-17)6-7-14/h2-5,17H,6-10H2,1H3,(H,15,16).
What are the key properties of N-[(2-methylphenyl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
N-[(2-methylphenyl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide has a molecular weight of 249.38 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is sourced from PubChem (CID 107023566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).