1-(4-chlorophenyl)sulfanyl-N-cyclohexyl-N-cyclopropylcyclopropane-1-carboxamide

C19H24ClNOS — CID 11674693

IUPAC1-(4-chlorophenyl)sulfanyl-N-cyclohexyl-N-cyclopropylcyclopropane-1-carboxamide
SMILESO=C(N(C1CCCCC1)C1CC1)C1(Sc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H24ClNOS/c20-14-6-10-17(11-7-14)23-19(12-13-19)18(22)21(16-8-9-16)15-4-2-1-3-5-15/h6-7,10-11,15-16H,1-5,8-9,12-13H2
InChIKeyVOHYLPCJNUVTDG-UHFFFAOYSA-N
MW349.93 g/mol
LogP5.29
Rot. Bonds5

About 1-(4-chlorophenyl)sulfanyl-N-cyclohexyl-N-cyclopropylcyclopropane-1-carboxamide

1-(4-chlorophenyl)sulfanyl-N-cyclohexyl-N-cyclopropylcyclopropane-1-carboxamide (PubChem CID 11674693) has the molecular formula C19H24ClNOS and a molecular weight of 349.93 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfanyl-N-cyclohexyl-N-cyclopropylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfanyl-N-cyclohexyl-N-cyclopropylcyclopropane-1-carboxamide
PubChem CID11674693
Molecular FormulaC19H24ClNOS
Molecular Weight349.93 g/mol
Exact Mass349.13
IUPAC Name1-(4-chlorophenyl)sulfanyl-N-cyclohexyl-N-cyclopropylcyclopropane-1-carboxamide
SMILESO=C(N(C1CCCCC1)C1CC1)C1(Sc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H24ClNOS/c20-14-6-10-17(11-7-14)23-19(12-13-19)18(22)21(16-8-9-16)15-4-2-1-3-5-15/h6-7,10-11,15-16H,1-5,8-9,12-13H2
InChIKeyVOHYLPCJNUVTDG-UHFFFAOYSA-N
XLogP5.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.93
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfanyl-N-cyclohexyl-N-cyclopropylcyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfanyl-N-cyclohexyl-N-cyclopropylcyclopropane-1-carboxamide (CID 11674693) is 1-(4-chlorophenyl)sulfanyl-N-cyclohexyl-N-cyclopropylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfanyl-N-cyclohexyl-N-cyclopropylcyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfanyl-N-cyclohexyl-N-cyclopropylcyclopropane-1-carboxamide is O=C(N(C1CCCCC1)C1CC1)C1(Sc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfanyl-N-cyclohexyl-N-cyclopropylcyclopropane-1-carboxamide?
The InChIKey is VOHYLPCJNUVTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNOS/c20-14-6-10-17(11-7-14)23-19(12-13-19)18(22)21(16-8-9-16)15-4-2-1-3-5-15/h6-7,10-11,15-16H,1-5,8-9,12-13H2.
What are the key properties of 1-(4-chlorophenyl)sulfanyl-N-cyclohexyl-N-cyclopropylcyclopropane-1-carboxamide?
1-(4-chlorophenyl)sulfanyl-N-cyclohexyl-N-cyclopropylcyclopropane-1-carboxamide has a molecular weight of 349.93 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfanyl-N-cyclohexyl-N-cyclopropylcyclopropane-1-carboxamide is sourced from PubChem (CID 11674693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).