1-(2-chlorophenyl)-N-(3-methylsulfanylphenyl)cyclopropane-1-carboxamide

C17H16ClNOS — CID 110439401

IUPAC1-(2-chlorophenyl)-N-(3-methylsulfanylphenyl)cyclopropane-1-carboxamide
SMILESCSc1cccc(NC(=O)C2(c3ccccc3Cl)CC2)c1
InChIInChI=1S/C17H16ClNOS/c1-21-13-6-4-5-12(11-13)19-16(20)17(9-10-17)14-7-2-3-8-15(14)18/h2-8,11H,9-10H2,1H3,(H,19,20)
InChIKeyUJPQFKMGSKNAHS-UHFFFAOYSA-N
MW317.84 g/mol
LogP4.73
Rot. Bonds4

About 1-(2-chlorophenyl)-N-(3-methylsulfanylphenyl)cyclopropane-1-carboxamide

1-(2-chlorophenyl)-N-(3-methylsulfanylphenyl)cyclopropane-1-carboxamide (PubChem CID 110439401) has the molecular formula C17H16ClNOS and a molecular weight of 317.84 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(3-methylsulfanylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(3-methylsulfanylphenyl)cyclopropane-1-carboxamide
PubChem CID110439401
Molecular FormulaC17H16ClNOS
Molecular Weight317.84 g/mol
Exact Mass317.06
IUPAC Name1-(2-chlorophenyl)-N-(3-methylsulfanylphenyl)cyclopropane-1-carboxamide
SMILESCSc1cccc(NC(=O)C2(c3ccccc3Cl)CC2)c1
InChIInChI=1S/C17H16ClNOS/c1-21-13-6-4-5-12(11-13)19-16(20)17(9-10-17)14-7-2-3-8-15(14)18/h2-8,11H,9-10H2,1H3,(H,19,20)
InChIKeyUJPQFKMGSKNAHS-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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Related Compounds

1-(4-chlorophenyl)-N-(3-methylsulfanylphenyl)cyclopropane-1-carboxamide
CID 26086733
N-(3-chloro-4-methylphenyl)-1-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 110439353
N-[3-(butanoylamino)phenyl]-4-(2-chlorophenyl)oxane-4-carboxamide
CID 86897484
1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3-methylsulfanylphenyl)cyclopropane-1-carboxamide
CID 90504477
3-(2-chlorophenyl)-N-(3-methylsulfanylphenyl)propanamide
CID 30940805
N-(3-acetylphenyl)-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 110423595
1-(2-chlorophenyl)-N-(2,4-difluorophenyl)cyclopropane-1-carboxamide
CID 110439413
1-(2-chlorophenyl)-N-(4-methoxy-3-methylphenyl)cyclohexane-1-carboxamide
CID 100676610
2-amino-3-chloro-N-(3-methylsulfanylphenyl)benzamide
CID 115539942
4-[[4-(2-chlorophenyl)oxane-4-carbonyl]amino]-2-methylbenzoic acid
CID 119240489
5-[[4-(2-chlorophenyl)oxane-4-carbonyl]amino]-2-methylbenzoic acid
CID 119255383
1-(3,5-dichlorophenyl)-3-(3-methylsulfanylphenyl)urea
CID 127577317

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(3-methylsulfanylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-(3-methylsulfanylphenyl)cyclopropane-1-carboxamide (CID 110439401) is 1-(2-chlorophenyl)-N-(3-methylsulfanylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(3-methylsulfanylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(3-methylsulfanylphenyl)cyclopropane-1-carboxamide is CSc1cccc(NC(=O)C2(c3ccccc3Cl)CC2)c1.
What is the InChIKey of 1-(2-chlorophenyl)-N-(3-methylsulfanylphenyl)cyclopropane-1-carboxamide?
The InChIKey is UJPQFKMGSKNAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNOS/c1-21-13-6-4-5-12(11-13)19-16(20)17(9-10-17)14-7-2-3-8-15(14)18/h2-8,11H,9-10H2,1H3,(H,19,20).
What are the key properties of 1-(2-chlorophenyl)-N-(3-methylsulfanylphenyl)cyclopropane-1-carboxamide?
1-(2-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-(2-chlorophenyl)-N-(3-methylsulfanylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 110439401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).