2-chloro-N-[2-(cyclopenten-1-yl)ethyl]-5-sulfanylbenzamide

C14H16ClNOS — CID 114153831

IUPAC2-chloro-N-[2-(cyclopenten-1-yl)ethyl]-5-sulfanylbenzamide
SMILESO=C(NCCC1=CCCC1)c1cc(S)ccc1Cl
InChIInChI=1S/C14H16ClNOS/c15-13-6-5-11(18)9-12(13)14(17)16-8-7-10-3-1-2-4-10/h3,5-6,9,18H,1-2,4,7-8H2,(H,16,17)
InChIKeyKTDVOXAXYAGTAK-UHFFFAOYSA-N
MW281.81 g/mol
LogP3.86
Rot. Bonds4

About 2-chloro-N-[2-(cyclopenten-1-yl)ethyl]-5-sulfanylbenzamide

2-chloro-N-[2-(cyclopenten-1-yl)ethyl]-5-sulfanylbenzamide (PubChem CID 114153831) has the molecular formula C14H16ClNOS and a molecular weight of 281.81 g/mol. Its IUPAC name is 2-chloro-N-[2-(cyclopenten-1-yl)ethyl]-5-sulfanylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(cyclopenten-1-yl)ethyl]-5-sulfanylbenzamide
PubChem CID114153831
Molecular FormulaC14H16ClNOS
Molecular Weight281.81 g/mol
Exact Mass281.06
IUPAC Name2-chloro-N-[2-(cyclopenten-1-yl)ethyl]-5-sulfanylbenzamide
SMILESO=C(NCCC1=CCCC1)c1cc(S)ccc1Cl
InChIInChI=1S/C14H16ClNOS/c15-13-6-5-11(18)9-12(13)14(17)16-8-7-10-3-1-2-4-10/h3,5-6,9,18H,1-2,4,7-8H2,(H,16,17)
InChIKeyKTDVOXAXYAGTAK-UHFFFAOYSA-N
XLogP3.86
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-[2-(cyclopenten-1-yl)ethyl]-5-sulfanylbenzamide
CID 106173273
N-[2-(cyclopenten-1-yl)ethyl]-4-sulfanylbenzamide
CID 114153830
2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835962
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835623
2-chloro-N-(2-fluoroethyl)-5-sulfanylbenzamide
CID 130505013
5-amino-2,3-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 107183912
2,6-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 874393
N-[2-(cyclopenten-1-yl)ethyl]-2-hydroxy-5-iodobenzamide
CID 114153815
2-chloro-N-[2-(cyclopenten-1-yl)ethyl]quinoline-4-carboxamide
CID 103842397
2-chloro-N-[2-(2-hydroxyethoxy)ethyl]-5-sulfanylbenzamide
CID 107028417
6-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyridine-3-carboxamide
CID 103842424
3-[2-(cyclopenten-1-yl)ethylcarbamoyl]benzenesulfonyl chloride
CID 106173095

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(cyclopenten-1-yl)ethyl]-5-sulfanylbenzamide?
The IUPAC name of 2-chloro-N-[2-(cyclopenten-1-yl)ethyl]-5-sulfanylbenzamide (CID 114153831) is 2-chloro-N-[2-(cyclopenten-1-yl)ethyl]-5-sulfanylbenzamide.
What is the SMILES notation for 2-chloro-N-[2-(cyclopenten-1-yl)ethyl]-5-sulfanylbenzamide?
The canonical SMILES for 2-chloro-N-[2-(cyclopenten-1-yl)ethyl]-5-sulfanylbenzamide is O=C(NCCC1=CCCC1)c1cc(S)ccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(cyclopenten-1-yl)ethyl]-5-sulfanylbenzamide?
The InChIKey is KTDVOXAXYAGTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNOS/c15-13-6-5-11(18)9-12(13)14(17)16-8-7-10-3-1-2-4-10/h3,5-6,9,18H,1-2,4,7-8H2,(H,16,17).
What are the key properties of 2-chloro-N-[2-(cyclopenten-1-yl)ethyl]-5-sulfanylbenzamide?
2-chloro-N-[2-(cyclopenten-1-yl)ethyl]-5-sulfanylbenzamide has a molecular weight of 281.81 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(cyclopenten-1-yl)ethyl]-5-sulfanylbenzamide is sourced from PubChem (CID 114153831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).