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

C15H20ClNOS — CID 107029044

IUPACN-[1-(2-chlorophenyl)ethyl]-N-methyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESCC(c1ccccc1Cl)N(C)C(=O)CC1(CS)CC1
InChIInChI=1S/C15H20ClNOS/c1-11(12-5-3-4-6-13(12)16)17(2)14(18)9-15(10-19)7-8-15/h3-6,11,19H,7-10H2,1-2H3
InChIKeyIBHAIAZJQREQEV-UHFFFAOYSA-N
MW297.85 g/mol
LogP3.96
Rot. Bonds5

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

N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (PubChem CID 107029044) has the molecular formula C15H20ClNOS and a molecular weight of 297.85 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-N-methyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
PubChem CID107029044
Molecular FormulaC15H20ClNOS
Molecular Weight297.85 g/mol
Exact Mass297.10
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-N-methyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESCC(c1ccccc1Cl)N(C)C(=O)CC1(CS)CC1
InChIInChI=1S/C15H20ClNOS/c1-11(12-5-3-4-6-13(12)16)17(2)14(18)9-15(10-19)7-8-15/h3-6,11,19H,7-10H2,1-2H3
InChIKeyIBHAIAZJQREQEV-UHFFFAOYSA-N
XLogP3.96
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.85
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (CID 107029044) is N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is CC(c1ccccc1Cl)N(C)C(=O)CC1(CS)CC1.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The InChIKey is IBHAIAZJQREQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNOS/c1-11(12-5-3-4-6-13(12)16)17(2)14(18)9-15(10-19)7-8-15/h3-6,11,19H,7-10H2,1-2H3.
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide has a molecular weight of 297.85 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is sourced from PubChem (CID 107029044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).