2-phenyl-N-[(1-thiophen-3-ylcyclopropyl)methyl]ethanesulfonamide

C16H19NO2S2 — CID 146078875

IUPAC2-phenyl-N-[(1-thiophen-3-ylcyclopropyl)methyl]ethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)NCC1(c2ccsc2)CC1
InChIInChI=1S/C16H19NO2S2/c18-21(19,11-7-14-4-2-1-3-5-14)17-13-16(8-9-16)15-6-10-20-12-15/h1-6,10,12,17H,7-9,11,13H2
InChIKeyPDIADXAZQBMHOP-UHFFFAOYSA-N
MW321.47 g/mol
LogP2.94
Rot. Bonds7

About 2-phenyl-N-[(1-thiophen-3-ylcyclopropyl)methyl]ethanesulfonamide

2-phenyl-N-[(1-thiophen-3-ylcyclopropyl)methyl]ethanesulfonamide (PubChem CID 146078875) has the molecular formula C16H19NO2S2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 2-phenyl-N-[(1-thiophen-3-ylcyclopropyl)methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-phenyl-N-[(1-thiophen-3-ylcyclopropyl)methyl]ethanesulfonamide
PubChem CID146078875
Molecular FormulaC16H19NO2S2
Molecular Weight321.47 g/mol
Exact Mass321.09
IUPAC Name2-phenyl-N-[(1-thiophen-3-ylcyclopropyl)methyl]ethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)NCC1(c2ccsc2)CC1
InChIInChI=1S/C16H19NO2S2/c18-21(19,11-7-14-4-2-1-3-5-14)17-13-16(8-9-16)15-6-10-20-12-15/h1-6,10,12,17H,7-9,11,13H2
InChIKeyPDIADXAZQBMHOP-UHFFFAOYSA-N
XLogP2.94
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]ethanesulfonamide
CID 30943250
1-(3-chlorophenyl)-N-[(1-thiophen-3-ylcyclopentyl)methyl]methanesulfonamide
CID 86263787
1-benzyl-3-[(1-thiophen-3-ylcyclopropyl)methyl]urea
CID 146078739
2-phenyl-N-thiophen-3-ylethanesulfonamide
CID 71991634
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-phenylpropane-1-sulfonamide
CID 113090696
(E)-2-phenyl-N-[(1-thiophen-3-ylcyclopentyl)methyl]ethenesulfonamide
CID 86263782
2-phenylmethoxy-N-[(1-thiophen-3-ylcyclopropyl)methyl]acetamide
CID 146078652
N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]-2-phenylethanesulfonamide
CID 113084771
N-[(1-aminocyclohexyl)methyl]-2-phenylethanesulfonamide;hydrochloride
CID 119958854
N-[(6-hydroxy-1,4-dithiepan-6-yl)methyl]-2-phenylethanesulfonamide
CID 146080431
N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-2-phenylethanesulfonamide
CID 91631208
N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-phenylethanesulfonamide
CID 113085496

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[(1-thiophen-3-ylcyclopropyl)methyl]ethanesulfonamide?
The IUPAC name of 2-phenyl-N-[(1-thiophen-3-ylcyclopropyl)methyl]ethanesulfonamide (CID 146078875) is 2-phenyl-N-[(1-thiophen-3-ylcyclopropyl)methyl]ethanesulfonamide.
What is the SMILES notation for 2-phenyl-N-[(1-thiophen-3-ylcyclopropyl)methyl]ethanesulfonamide?
The canonical SMILES for 2-phenyl-N-[(1-thiophen-3-ylcyclopropyl)methyl]ethanesulfonamide is O=S(=O)(CCc1ccccc1)NCC1(c2ccsc2)CC1.
What is the InChIKey of 2-phenyl-N-[(1-thiophen-3-ylcyclopropyl)methyl]ethanesulfonamide?
The InChIKey is PDIADXAZQBMHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S2/c18-21(19,11-7-14-4-2-1-3-5-14)17-13-16(8-9-16)15-6-10-20-12-15/h1-6,10,12,17H,7-9,11,13H2.
What are the key properties of 2-phenyl-N-[(1-thiophen-3-ylcyclopropyl)methyl]ethanesulfonamide?
2-phenyl-N-[(1-thiophen-3-ylcyclopropyl)methyl]ethanesulfonamide has a molecular weight of 321.47 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[(1-thiophen-3-ylcyclopropyl)methyl]ethanesulfonamide is sourced from PubChem (CID 146078875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).