N-[2-(cyclopenten-1-yl)ethyl]-4-sulfanylbenzamide

C14H17NOS — CID 114153830

IUPACN-[2-(cyclopenten-1-yl)ethyl]-4-sulfanylbenzamide
SMILESO=C(NCCC1=CCCC1)c1ccc(S)cc1
InChIInChI=1S/C14H17NOS/c16-14(12-5-7-13(17)8-6-12)15-10-9-11-3-1-2-4-11/h3,5-8,17H,1-2,4,9-10H2,(H,15,16)
InChIKeyFTXAZSOEKDMPLJ-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.21
Rot. Bonds4

About N-[2-(cyclopenten-1-yl)ethyl]-4-sulfanylbenzamide

N-[2-(cyclopenten-1-yl)ethyl]-4-sulfanylbenzamide (PubChem CID 114153830) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is N-[2-(cyclopenten-1-yl)ethyl]-4-sulfanylbenzamide.

Molecular Properties

Compound NameN-[2-(cyclopenten-1-yl)ethyl]-4-sulfanylbenzamide
PubChem CID114153830
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC NameN-[2-(cyclopenten-1-yl)ethyl]-4-sulfanylbenzamide
SMILESO=C(NCCC1=CCCC1)c1ccc(S)cc1
InChIInChI=1S/C14H17NOS/c16-14(12-5-7-13(17)8-6-12)15-10-9-11-3-1-2-4-11/h3,5-8,17H,1-2,4,9-10H2,(H,15,16)
InChIKeyFTXAZSOEKDMPLJ-UHFFFAOYSA-N
XLogP3.21
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.21
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

4-(aminomethyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 43515270
2-chloro-N-[2-(cyclopenten-1-yl)ethyl]-5-sulfanylbenzamide
CID 114153831
4-carbamothioyl-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 47213059
2-bromo-N-[2-(cyclopenten-1-yl)ethyl]-5-sulfanylbenzamide
CID 106173273
6-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyridine-3-carboxamide
CID 103842424
4-acetamido-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 27666318
4-N-(4-acetylphenyl)-1-N-[2-(cyclohexen-1-yl)ethyl]benzene-1,4-dicarboxamide
CID 109045058
6-bromo-N-[2-(cyclopenten-1-yl)ethyl]pyridine-3-carboxamide
CID 103842426
4-N-[(4-chlorophenyl)methyl]-1-N-[2-(cyclohexen-1-yl)ethyl]benzene-1,4-dicarboxamide
CID 109045014
N-[2-(cyclopenten-1-yl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 106175471
3-[2-(cyclopenten-1-yl)ethylcarbamoyl]benzenesulfonyl chloride
CID 106173095
N-[2-(cyclohexen-1-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 18108486

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-4-sulfanylbenzamide?
The IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-4-sulfanylbenzamide (CID 114153830) is N-[2-(cyclopenten-1-yl)ethyl]-4-sulfanylbenzamide.
What is the SMILES notation for N-[2-(cyclopenten-1-yl)ethyl]-4-sulfanylbenzamide?
The canonical SMILES for N-[2-(cyclopenten-1-yl)ethyl]-4-sulfanylbenzamide is O=C(NCCC1=CCCC1)c1ccc(S)cc1.
What is the InChIKey of N-[2-(cyclopenten-1-yl)ethyl]-4-sulfanylbenzamide?
The InChIKey is FTXAZSOEKDMPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c16-14(12-5-7-13(17)8-6-12)15-10-9-11-3-1-2-4-11/h3,5-8,17H,1-2,4,9-10H2,(H,15,16).
What are the key properties of N-[2-(cyclopenten-1-yl)ethyl]-4-sulfanylbenzamide?
N-[2-(cyclopenten-1-yl)ethyl]-4-sulfanylbenzamide has a molecular weight of 247.36 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopenten-1-yl)ethyl]-4-sulfanylbenzamide is sourced from PubChem (CID 114153830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).