2-(3-chloro-4-fluorophenyl)sulfanyl-N-cycloheptylacetamide

C15H19ClFNOS — CID 29479561

IUPAC2-(3-chloro-4-fluorophenyl)sulfanyl-N-cycloheptylacetamide
SMILESO=C(CSc1ccc(F)c(Cl)c1)NC1CCCCCC1
InChIInChI=1S/C15H19ClFNOS/c16-13-9-12(7-8-14(13)17)20-10-15(19)18-11-5-3-1-2-4-6-11/h7-9,11H,1-6,10H2,(H,18,19)
InChIKeyDQVWDRDSBRFFSM-UHFFFAOYSA-N
MW315.84 g/mol
LogP4.41
Rot. Bonds4

About 2-(3-chloro-4-fluorophenyl)sulfanyl-N-cycloheptylacetamide

2-(3-chloro-4-fluorophenyl)sulfanyl-N-cycloheptylacetamide (PubChem CID 29479561) has the molecular formula C15H19ClFNOS and a molecular weight of 315.84 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)sulfanyl-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)sulfanyl-N-cycloheptylacetamide
PubChem CID29479561
Molecular FormulaC15H19ClFNOS
Molecular Weight315.84 g/mol
Exact Mass315.09
IUPAC Name2-(3-chloro-4-fluorophenyl)sulfanyl-N-cycloheptylacetamide
SMILESO=C(CSc1ccc(F)c(Cl)c1)NC1CCCCCC1
InChIInChI=1S/C15H19ClFNOS/c16-13-9-12(7-8-14(13)17)20-10-15(19)18-11-5-3-1-2-4-6-11/h7-9,11H,1-6,10H2,(H,18,19)
InChIKeyDQVWDRDSBRFFSM-UHFFFAOYSA-N
XLogP4.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.84
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-cyclododecylacetamide
CID 19203546
2-[(3-chloro-4-fluorophenyl)methylamino]-N-cyclohexylacetamide
CID 62537472
2-(4-amino-3-methylphenyl)sulfanyl-N-cyclohexylacetamide
CID 79148174
2-(4-amino-3-methylphenyl)sulfanyl-N-cycloheptylacetamide
CID 79148069
N-cyclohexyl-2-(4-methylphenyl)sulfanylacetamide
CID 846420
2-(4-aminophenyl)sulfanyl-N-cyclopentylacetamide
CID 19317767
1-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-3-cyclohexylthiourea
CID 3344808
2-(4-chlorophenyl)sulfanyl-N-piperidin-3-ylacetamide
CID 119427074
N-cyclohexyl-2-[3-(hydroxymethyl)phenyl]sulfanylacetamide
CID 66348936
2-(2-chlorophenyl)sulfanyl-N-cyclopentylacetamide
CID 60624624
2-(4-chlorophenyl)sulfanyl-N-(1-methylpiperidin-4-yl)acetamide
CID 53279584
N-cycloheptyl-2-(4-methoxyphenyl)sulfanylacetamide
CID 7992638

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)sulfanyl-N-cycloheptylacetamide?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)sulfanyl-N-cycloheptylacetamide (CID 29479561) is 2-(3-chloro-4-fluorophenyl)sulfanyl-N-cycloheptylacetamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)sulfanyl-N-cycloheptylacetamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)sulfanyl-N-cycloheptylacetamide is O=C(CSc1ccc(F)c(Cl)c1)NC1CCCCCC1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)sulfanyl-N-cycloheptylacetamide?
The InChIKey is DQVWDRDSBRFFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNOS/c16-13-9-12(7-8-14(13)17)20-10-15(19)18-11-5-3-1-2-4-6-11/h7-9,11H,1-6,10H2,(H,18,19).
What are the key properties of 2-(3-chloro-4-fluorophenyl)sulfanyl-N-cycloheptylacetamide?
2-(3-chloro-4-fluorophenyl)sulfanyl-N-cycloheptylacetamide has a molecular weight of 315.84 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)sulfanyl-N-cycloheptylacetamide is sourced from PubChem (CID 29479561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).