1-(4-chlorophenyl)-N-(4-methylsulfanylphenyl)cyclobutane-1-carboxamide

C18H18ClNOS — CID 55415843

IUPAC1-(4-chlorophenyl)-N-(4-methylsulfanylphenyl)cyclobutane-1-carboxamide
SMILESCSc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCC2)cc1
InChIInChI=1S/C18H18ClNOS/c1-22-16-9-7-15(8-10-16)20-17(21)18(11-2-12-18)13-3-5-14(19)6-4-13/h3-10H,2,11-12H2,1H3,(H,20,21)
InChIKeyNJQMHRIITJFZMV-UHFFFAOYSA-N
MW331.87 g/mol
LogP5.12
Rot. Bonds4

About 1-(4-chlorophenyl)-N-(4-methylsulfanylphenyl)cyclobutane-1-carboxamide

1-(4-chlorophenyl)-N-(4-methylsulfanylphenyl)cyclobutane-1-carboxamide (PubChem CID 55415843) has the molecular formula C18H18ClNOS and a molecular weight of 331.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(4-methylsulfanylphenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(4-methylsulfanylphenyl)cyclobutane-1-carboxamide
PubChem CID55415843
Molecular FormulaC18H18ClNOS
Molecular Weight331.87 g/mol
Exact Mass331.08
IUPAC Name1-(4-chlorophenyl)-N-(4-methylsulfanylphenyl)cyclobutane-1-carboxamide
SMILESCSc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCC2)cc1
InChIInChI=1S/C18H18ClNOS/c1-22-16-9-7-15(8-10-16)20-17(21)18(11-2-12-18)13-3-5-14(19)6-4-13/h3-10H,2,11-12H2,1H3,(H,20,21)
InChIKeyNJQMHRIITJFZMV-UHFFFAOYSA-N
XLogP5.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.87
LogP ≤ 55.12
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
1-(4-chlorophenyl)-N-phenylcyclopentane-1-carboxamide
CID 22236982
1-(4-methylsulfanylphenyl)cyclobutane-1-carbohydrazide
CID 116844330
1-(4-aminophenyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 99706799
N-(3-chloro-4-fluorophenyl)-1-[4-(methylcarbamoylamino)phenyl]cyclobutane-1-carboxamide
CID 53110613
2-chloro-5-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]-N,N-dimethylbenzamide
CID 55674742
methyl 2-[[4-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]benzoyl]amino]acetate
CID 60606151
N-(4-chlorophenyl)-1-(2-fluorophenyl)cyclobutane-1-carboxamide
CID 110438567
1-ethyl-N-(4-methylsulfanylphenyl)-4-phenylazepane-4-carboxamide
CID 53165493
1-(4-chlorophenyl)-N-(4-cyanophenyl)cyclopropane-1-carboxamide
CID 26289781
1-(4-chlorophenyl)-N-(3-ethynylphenyl)cyclobutane-1-carboxamide
CID 55514323
2-[4-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]phenoxy]acetic acid
CID 100665395

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(4-methylsulfanylphenyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(4-methylsulfanylphenyl)cyclobutane-1-carboxamide (CID 55415843) is 1-(4-chlorophenyl)-N-(4-methylsulfanylphenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(4-methylsulfanylphenyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(4-methylsulfanylphenyl)cyclobutane-1-carboxamide is CSc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCC2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(4-methylsulfanylphenyl)cyclobutane-1-carboxamide?
The InChIKey is NJQMHRIITJFZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNOS/c1-22-16-9-7-15(8-10-16)20-17(21)18(11-2-12-18)13-3-5-14(19)6-4-13/h3-10H,2,11-12H2,1H3,(H,20,21).
What are the key properties of 1-(4-chlorophenyl)-N-(4-methylsulfanylphenyl)cyclobutane-1-carboxamide?
1-(4-chlorophenyl)-N-(4-methylsulfanylphenyl)cyclobutane-1-carboxamide has a molecular weight of 331.87 g/mol, XLogP of 5.12, 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-(4-methylsulfanylphenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 55415843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).