N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetamide

C18H23ClF2N2O3S — CID 8696510

IUPACN-[3-chloro-4-(difluoromethoxy)phenyl]-2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetamide
SMILESCN(C(=O)CSCC(=O)Nc1ccc(OC(F)F)c(Cl)c1)C1CCCCC1
InChIInChI=1S/C18H23ClF2N2O3S/c1-23(13-5-3-2-4-6-13)17(25)11-27-10-16(24)22-12-7-8-15(14(19)9-12)26-18(20)21/h7-9,13,18H,2-6,10-11H2,1H3,(H,22,24)
InChIKeyQHNACYCMLKQEMP-UHFFFAOYSA-N
MW420.91 g/mol
LogP4.40
Rot. Bonds8

About N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetamide

N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetamide (PubChem CID 8696510) has the molecular formula C18H23ClF2N2O3S and a molecular weight of 420.91 g/mol. Its IUPAC name is N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-[3-chloro-4-(difluoromethoxy)phenyl]-2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetamide
PubChem CID8696510
Molecular FormulaC18H23ClF2N2O3S
Molecular Weight420.91 g/mol
Exact Mass420.11
IUPAC NameN-[3-chloro-4-(difluoromethoxy)phenyl]-2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetamide
SMILESCN(C(=O)CSCC(=O)Nc1ccc(OC(F)F)c(Cl)c1)C1CCCCC1
InChIInChI=1S/C18H23ClF2N2O3S/c1-23(13-5-3-2-4-6-13)17(25)11-27-10-16(24)22-12-7-8-15(14(19)9-12)26-18(20)21/h7-9,13,18H,2-6,10-11H2,1H3,(H,22,24)
InChIKeyQHNACYCMLKQEMP-UHFFFAOYSA-N
XLogP4.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.91
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetamide?
The IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetamide (CID 8696510) is N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetamide is CN(C(=O)CSCC(=O)Nc1ccc(OC(F)F)c(Cl)c1)C1CCCCC1.
What is the InChIKey of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetamide?
The InChIKey is QHNACYCMLKQEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClF2N2O3S/c1-23(13-5-3-2-4-6-13)17(25)11-27-10-16(24)22-12-7-8-15(14(19)9-12)26-18(20)21/h7-9,13,18H,2-6,10-11H2,1H3,(H,22,24).
What are the key properties of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetamide?
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetamide has a molecular weight of 420.91 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 8696510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).