1-(4-chlorophenyl)-N-(3-methylsulfanylphenyl)cyclopropane-1-carboxamide

C17H16ClNOS — CID 26086733

IUPAC1-(4-chlorophenyl)-N-(3-methylsulfanylphenyl)cyclopropane-1-carboxamide
SMILESCSc1cccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C17H16ClNOS/c1-21-15-4-2-3-14(11-15)19-16(20)17(9-10-17)12-5-7-13(18)8-6-12/h2-8,11H,9-10H2,1H3,(H,19,20)
InChIKeyVULGTLBGMRSMOM-UHFFFAOYSA-N
MW317.84 g/mol
LogP4.73
Rot. Bonds4

About 1-(4-chlorophenyl)-N-(3-methylsulfanylphenyl)cyclopropane-1-carboxamide

1-(4-chlorophenyl)-N-(3-methylsulfanylphenyl)cyclopropane-1-carboxamide (PubChem CID 26086733) has the molecular formula C17H16ClNOS and a molecular weight of 317.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(3-methylsulfanylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(3-methylsulfanylphenyl)cyclopropane-1-carboxamide
PubChem CID26086733
Molecular FormulaC17H16ClNOS
Molecular Weight317.84 g/mol
Exact Mass317.06
IUPAC Name1-(4-chlorophenyl)-N-(3-methylsulfanylphenyl)cyclopropane-1-carboxamide
SMILESCSc1cccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C17H16ClNOS/c1-21-15-4-2-3-14(11-15)19-16(20)17(9-10-17)12-5-7-13(18)8-6-12/h2-8,11H,9-10H2,1H3,(H,19,20)
InChIKeyVULGTLBGMRSMOM-UHFFFAOYSA-N
XLogP4.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(3-methylsulfanylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(3-methylsulfanylphenyl)cyclopropane-1-carboxamide (CID 26086733) is 1-(4-chlorophenyl)-N-(3-methylsulfanylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(3-methylsulfanylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(3-methylsulfanylphenyl)cyclopropane-1-carboxamide is CSc1cccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(3-methylsulfanylphenyl)cyclopropane-1-carboxamide?
The InChIKey is VULGTLBGMRSMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNOS/c1-21-15-4-2-3-14(11-15)19-16(20)17(9-10-17)12-5-7-13(18)8-6-12/h2-8,11H,9-10H2,1H3,(H,19,20).
What are the key properties of 1-(4-chlorophenyl)-N-(3-methylsulfanylphenyl)cyclopropane-1-carboxamide?
1-(4-chlorophenyl)-N-(3-methylsulfanylphenyl)cyclopropane-1-carboxamide has a molecular weight of 317.84 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(3-methylsulfanylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 26086733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).