(E)-2-phenyl-N-[(1-thiophen-3-ylcyclopentyl)methyl]ethenesulfonamide

C18H21NO2S2 — CID 86263782

IUPAC(E)-2-phenyl-N-[(1-thiophen-3-ylcyclopentyl)methyl]ethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccccc1)NCC1(c2ccsc2)CCCC1
InChIInChI=1S/C18H21NO2S2/c20-23(21,13-9-16-6-2-1-3-7-16)19-15-18(10-4-5-11-18)17-8-12-22-14-17/h1-3,6-9,12-14,19H,4-5,10-11,15H2/b13-9+
InChIKeyURCVXWFIIZCOSD-UKTHLTGXSA-N
MW347.50 g/mol
LogP4.15
Rot. Bonds6

About (E)-2-phenyl-N-[(1-thiophen-3-ylcyclopentyl)methyl]ethenesulfonamide

(E)-2-phenyl-N-[(1-thiophen-3-ylcyclopentyl)methyl]ethenesulfonamide (PubChem CID 86263782) has the molecular formula C18H21NO2S2 and a molecular weight of 347.50 g/mol. Its IUPAC name is (E)-2-phenyl-N-[(1-thiophen-3-ylcyclopentyl)methyl]ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-phenyl-N-[(1-thiophen-3-ylcyclopentyl)methyl]ethenesulfonamide
PubChem CID86263782
Molecular FormulaC18H21NO2S2
Molecular Weight347.50 g/mol
Exact Mass347.10
IUPAC Name(E)-2-phenyl-N-[(1-thiophen-3-ylcyclopentyl)methyl]ethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccccc1)NCC1(c2ccsc2)CCCC1
InChIInChI=1S/C18H21NO2S2/c20-23(21,13-9-16-6-2-1-3-7-16)19-15-18(10-4-5-11-18)17-8-12-22-14-17/h1-3,6-9,12-14,19H,4-5,10-11,15H2/b13-9+
InChIKeyURCVXWFIIZCOSD-UKTHLTGXSA-N
XLogP4.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-2-phenylethenesulfonamide
CID 121179119
2-phenyl-N-[(1-thiophen-3-ylcyclopropyl)methyl]ethanesulfonamide
CID 146078875
5-methyl-N-[(1-thiophen-3-ylcyclopentyl)methyl]thiophene-2-sulfonamide
CID 86263781
1-(3-chlorophenyl)-N-[(1-thiophen-3-ylcyclopentyl)methyl]methanesulfonamide
CID 86263787
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-phenylethenesulfonamide
CID 91939423
N-[(1-thiophen-3-ylcyclopentyl)methyl]quinoline-8-sulfonamide
CID 86264405
N-[(4-ethyloxan-4-yl)methyl]-2-phenylethenesulfonamide
CID 91943052
(E)-N-ethyl-2-phenylethenesulfonamide
CID 43212835
(E)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-(4-methylphenyl)ethenesulfonamide
CID 71796584
N-[(1-phenylcyclopentyl)methyl]methanesulfonamide
CID 47016388
N-(1-methylcyclohexyl)-2-phenylethenesulfonamide
CID 70606649
(E)-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2-phenylethenesulfonamide
CID 124878567

Frequently Asked Questions

What is the IUPAC name of (E)-2-phenyl-N-[(1-thiophen-3-ylcyclopentyl)methyl]ethenesulfonamide?
The IUPAC name of (E)-2-phenyl-N-[(1-thiophen-3-ylcyclopentyl)methyl]ethenesulfonamide (CID 86263782) is (E)-2-phenyl-N-[(1-thiophen-3-ylcyclopentyl)methyl]ethenesulfonamide.
What is the SMILES notation for (E)-2-phenyl-N-[(1-thiophen-3-ylcyclopentyl)methyl]ethenesulfonamide?
The canonical SMILES for (E)-2-phenyl-N-[(1-thiophen-3-ylcyclopentyl)methyl]ethenesulfonamide is O=S(=O)(/C=C/c1ccccc1)NCC1(c2ccsc2)CCCC1.
What is the InChIKey of (E)-2-phenyl-N-[(1-thiophen-3-ylcyclopentyl)methyl]ethenesulfonamide?
The InChIKey is URCVXWFIIZCOSD-UKTHLTGXSA-N. The full InChI is InChI=1S/C18H21NO2S2/c20-23(21,13-9-16-6-2-1-3-7-16)19-15-18(10-4-5-11-18)17-8-12-22-14-17/h1-3,6-9,12-14,19H,4-5,10-11,15H2/b13-9+.
What are the key properties of (E)-2-phenyl-N-[(1-thiophen-3-ylcyclopentyl)methyl]ethenesulfonamide?
(E)-2-phenyl-N-[(1-thiophen-3-ylcyclopentyl)methyl]ethenesulfonamide has a molecular weight of 347.50 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-phenyl-N-[(1-thiophen-3-ylcyclopentyl)methyl]ethenesulfonamide is sourced from PubChem (CID 86263782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).