(E)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-2-phenylethenesulfonamide

C20H25NO3S2 — CID 121179119

IUPAC(E)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-2-phenylethenesulfonamide
SMILESCC(O)c1ccc(C2(CNS(=O)(=O)/C=C/c3ccccc3)CCCC2)s1
InChIInChI=1S/C20H25NO3S2/c1-16(22)18-9-10-19(25-18)20(12-5-6-13-20)15-21-26(23,24)14-11-17-7-3-2-4-8-17/h2-4,7-11,14,16,21-22H,5-6,12-13,15H2,1H3/b14-11+
InChIKeyOHRNAWMYJYRVMI-SDNWHVSQSA-N
MW391.56 g/mol
LogP4.20
Rot. Bonds7

About (E)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-2-phenylethenesulfonamide

(E)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-2-phenylethenesulfonamide (PubChem CID 121179119) has the molecular formula C20H25NO3S2 and a molecular weight of 391.56 g/mol. Its IUPAC name is (E)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-2-phenylethenesulfonamide
PubChem CID121179119
Molecular FormulaC20H25NO3S2
Molecular Weight391.56 g/mol
Exact Mass391.13
IUPAC Name(E)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-2-phenylethenesulfonamide
SMILESCC(O)c1ccc(C2(CNS(=O)(=O)/C=C/c3ccccc3)CCCC2)s1
InChIInChI=1S/C20H25NO3S2/c1-16(22)18-9-10-19(25-18)20(12-5-6-13-20)15-21-26(23,24)14-11-17-7-3-2-4-8-17/h2-4,7-11,14,16,21-22H,5-6,12-13,15H2,1H3/b14-11+
InChIKeyOHRNAWMYJYRVMI-SDNWHVSQSA-N
XLogP4.20
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (E)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-2-phenylethenesulfonamide with MolForge

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Related Compounds

N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]propane-1-sulfonamide
CID 121179107
1-(2-fluorophenyl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]methanesulfonamide
CID 121179131
N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]thiophene-2-sulfonamide
CID 91817514
5-chloro-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]thiophene-2-sulfonamide
CID 121179141
N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-2,4,6-trimethylbenzenesulfonamide
CID 121179144
1-(4-fluorophenyl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]methanesulfonamide
CID 121179132
N-[[1-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]benzamide
CID 100720415
N-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 100721790
(E)-2-phenyl-N-[(1-thiophen-3-ylcyclopentyl)methyl]ethenesulfonamide
CID 86263782
N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]acetamide
CID 121178927
N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-4-nitrobenzenesulfonamide
CID 121179152
2,5-difluoro-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzenesulfonamide
CID 121179138

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-2-phenylethenesulfonamide (CID 121179119) is (E)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-2-phenylethenesulfonamide is CC(O)c1ccc(C2(CNS(=O)(=O)/C=C/c3ccccc3)CCCC2)s1.
What is the InChIKey of (E)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-2-phenylethenesulfonamide?
The InChIKey is OHRNAWMYJYRVMI-SDNWHVSQSA-N. The full InChI is InChI=1S/C20H25NO3S2/c1-16(22)18-9-10-19(25-18)20(12-5-6-13-20)15-21-26(23,24)14-11-17-7-3-2-4-8-17/h2-4,7-11,14,16,21-22H,5-6,12-13,15H2,1H3/b14-11+.
What are the key properties of (E)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-2-phenylethenesulfonamide?
(E)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-2-phenylethenesulfonamide has a molecular weight of 391.56 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-2-phenylethenesulfonamide is sourced from PubChem (CID 121179119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).