2-(4-chlorophenyl)sulfanyl-N-cyclododecylacetamide

C20H30ClNOS — CID 19203546

IUPAC2-(4-chlorophenyl)sulfanyl-N-cyclododecylacetamide
SMILESO=C(CSc1ccc(Cl)cc1)NC1CCCCCCCCCCC1
InChIInChI=1S/C20H30ClNOS/c21-17-12-14-19(15-13-17)24-16-20(23)22-18-10-8-6-4-2-1-3-5-7-9-11-18/h12-15,18H,1-11,16H2,(H,22,23)
InChIKeyWIGCJELUXMOZOM-UHFFFAOYSA-N
MW367.99 g/mol
LogP6.22
Rot. Bonds4

About 2-(4-chlorophenyl)sulfanyl-N-cyclododecylacetamide

2-(4-chlorophenyl)sulfanyl-N-cyclododecylacetamide (PubChem CID 19203546) has the molecular formula C20H30ClNOS and a molecular weight of 367.99 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-cyclododecylacetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-cyclododecylacetamide
PubChem CID19203546
Molecular FormulaC20H30ClNOS
Molecular Weight367.99 g/mol
Exact Mass367.17
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-cyclododecylacetamide
SMILESO=C(CSc1ccc(Cl)cc1)NC1CCCCCCCCCCC1
InChIInChI=1S/C20H30ClNOS/c21-17-12-14-19(15-13-17)24-16-20(23)22-18-10-8-6-4-2-1-3-5-7-9-11-18/h12-15,18H,1-11,16H2,(H,22,23)
InChIKeyWIGCJELUXMOZOM-UHFFFAOYSA-N
XLogP6.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.99
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-4-fluorophenyl)sulfanyl-N-cycloheptylacetamide
CID 29479561
1-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-3-cyclohexylthiourea
CID 3344808
N-cyclohexyl-2-(4-methylphenyl)sulfanylacetamide
CID 846420
2-(4-chlorophenyl)sulfanyl-N-piperidin-3-ylacetamide
CID 119427074
2-(4-chlorophenyl)sulfanyl-N-(1-methylpiperidin-4-yl)acetamide
CID 53279584
2-(4-chlorophenyl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119388445
2-(4-aminophenyl)sulfanyl-N-cyclopentylacetamide
CID 19317767
N-cycloheptyl-2-(4-methoxyphenyl)sulfanylacetamide
CID 7992638
ethyl 4-[[2-(4-chlorophenyl)sulfanylacetyl]amino]piperidine-1-carboxylate
CID 26776895
2-(4-amino-3-methylphenyl)sulfanyl-N-cyclohexylacetamide
CID 79148174
2-(4-amino-3-methylphenyl)sulfanyl-N-cycloheptylacetamide
CID 79148069
2-(2-chlorophenyl)sulfanyl-N-cyclopentylacetamide
CID 60624624

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-cyclododecylacetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-cyclododecylacetamide (CID 19203546) is 2-(4-chlorophenyl)sulfanyl-N-cyclododecylacetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-cyclododecylacetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-cyclododecylacetamide is O=C(CSc1ccc(Cl)cc1)NC1CCCCCCCCCCC1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-cyclododecylacetamide?
The InChIKey is WIGCJELUXMOZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClNOS/c21-17-12-14-19(15-13-17)24-16-20(23)22-18-10-8-6-4-2-1-3-5-7-9-11-18/h12-15,18H,1-11,16H2,(H,22,23).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-cyclododecylacetamide?
2-(4-chlorophenyl)sulfanyl-N-cyclododecylacetamide has a molecular weight of 367.99 g/mol, XLogP of 6.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-cyclododecylacetamide is sourced from PubChem (CID 19203546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).