1-(benzenesulfonyl)-N-(thiophen-2-ylmethyl)cyclopent-3-ene-1-carboxamide

C17H17NO3S2 — CID 24816516

IUPAC1-(benzenesulfonyl)-N-(thiophen-2-ylmethyl)cyclopent-3-ene-1-carboxamide
SMILESO=C(NCc1cccs1)C1(S(=O)(=O)c2ccccc2)CC=CC1
InChIInChI=1S/C17H17NO3S2/c19-16(18-13-14-7-6-12-22-14)17(10-4-5-11-17)23(20,21)15-8-2-1-3-9-15/h1-9,12H,10-11,13H2,(H,18,19)
InChIKeyAOKGBYACXYYFMB-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.93
Rot. Bonds5

About 1-(benzenesulfonyl)-N-(thiophen-2-ylmethyl)cyclopent-3-ene-1-carboxamide

1-(benzenesulfonyl)-N-(thiophen-2-ylmethyl)cyclopent-3-ene-1-carboxamide (PubChem CID 24816516) has the molecular formula C17H17NO3S2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(thiophen-2-ylmethyl)cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(thiophen-2-ylmethyl)cyclopent-3-ene-1-carboxamide
PubChem CID24816516
Molecular FormulaC17H17NO3S2
Molecular Weight347.46 g/mol
Exact Mass347.06
IUPAC Name1-(benzenesulfonyl)-N-(thiophen-2-ylmethyl)cyclopent-3-ene-1-carboxamide
SMILESO=C(NCc1cccs1)C1(S(=O)(=O)c2ccccc2)CC=CC1
InChIInChI=1S/C17H17NO3S2/c19-16(18-13-14-7-6-12-22-14)17(10-4-5-11-17)23(20,21)15-8-2-1-3-9-15/h1-9,12H,10-11,13H2,(H,18,19)
InChIKeyAOKGBYACXYYFMB-UHFFFAOYSA-N
XLogP2.93
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-sulfamoylphenyl)methyl]-2-thiophen-2-ylacetamide
CID 694792
N-(thien-2-ylmethyl)-4-{[(thien-2-ylsulfonyl)amino]methyl}cyclohexanecarboxamide
CID 3237775
N-(thien-2-ylmethyl)-1-(thien-2-ylsulfonyl)piperidine-4-carboxamide
CID 3243911
N-[(4-methylphenyl)methyl]-4-[(thiophene-2-sulfonamido)methyl]cyclohexane-1-carboxamide
CID 5322912
N-benzyl-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 5322919
N~1~-benzyl-N~1~-methyl-N~2~-(thien-2-ylsulfonyl)valinamide
CID 6619218
N-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]acetamide;hydrochloride
CID 138618957
N-(2-phenylethyl)-4-[(thien-2-ylsulfonyl)amino]butanamide
CID 16194039
N-benzyl-4-(diethylsulfamoyl)thiophene-2-carboxamide
CID 647357
1-(ethylsulfonyl)-N-(thien-2-ylmethyl)piperidine-4-carboxamide
CID 3241452
3-[(4-methylbenzyl)sulfonyl]-N-(thien-2-ylmethyl)propanamide
CID 3241727
1-(pyrrolidin-1-ylsulfonyl)-N-(thien-2-ylmethyl)piperidine-4-carboxamide
CID 3242699

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(thiophen-2-ylmethyl)cyclopent-3-ene-1-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(thiophen-2-ylmethyl)cyclopent-3-ene-1-carboxamide (CID 24816516) is 1-(benzenesulfonyl)-N-(thiophen-2-ylmethyl)cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(thiophen-2-ylmethyl)cyclopent-3-ene-1-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(thiophen-2-ylmethyl)cyclopent-3-ene-1-carboxamide is O=C(NCc1cccs1)C1(S(=O)(=O)c2ccccc2)CC=CC1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(thiophen-2-ylmethyl)cyclopent-3-ene-1-carboxamide?
The InChIKey is AOKGBYACXYYFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3S2/c19-16(18-13-14-7-6-12-22-14)17(10-4-5-11-17)23(20,21)15-8-2-1-3-9-15/h1-9,12H,10-11,13H2,(H,18,19).
What are the key properties of 1-(benzenesulfonyl)-N-(thiophen-2-ylmethyl)cyclopent-3-ene-1-carboxamide?
1-(benzenesulfonyl)-N-(thiophen-2-ylmethyl)cyclopent-3-ene-1-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(thiophen-2-ylmethyl)cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 24816516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).