2-phenyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]ethanesulfonamide

C18H18N2O2S2 — CID 121177892

IUPAC2-phenyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]ethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)NCc1cccnc1-c1ccsc1
InChIInChI=1S/C18H18N2O2S2/c21-24(22,12-9-15-5-2-1-3-6-15)20-13-16-7-4-10-19-18(16)17-8-11-23-14-17/h1-8,10-11,14,20H,9,12-13H2
InChIKeyJJDVXGANNBDHHE-UHFFFAOYSA-N
MW358.49 g/mol
LogP3.47
Rot. Bonds7

About 2-phenyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]ethanesulfonamide

2-phenyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]ethanesulfonamide (PubChem CID 121177892) has the molecular formula C18H18N2O2S2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 2-phenyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-phenyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]ethanesulfonamide
PubChem CID121177892
Molecular FormulaC18H18N2O2S2
Molecular Weight358.49 g/mol
Exact Mass358.08
IUPAC Name2-phenyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]ethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)NCc1cccnc1-c1ccsc1
InChIInChI=1S/C18H18N2O2S2/c21-24(22,12-9-15-5-2-1-3-6-15)20-13-16-7-4-10-19-18(16)17-8-11-23-14-17/h1-8,10-11,14,20H,9,12-13H2
InChIKeyJJDVXGANNBDHHE-UHFFFAOYSA-N
XLogP3.47
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-thiophen-3-yl-3-pyridinyl)methyl]methanesulfonamide
CID 121177877
1-cyclohexyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]methanesulfonamide
CID 121177965
4-chloro-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 121177942
3-phenoxy-N-[(2-thiophen-3-ylphenyl)methyl]propane-1-sulfonamide
CID 90597161
5-chloro-2-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 121177917
2,4,6-tri(propan-2-yl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 121177958
1-ethyl-2-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]imidazole-4-sulfonamide
CID 121177976
3-methyl-2-oxo-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,3-benzoxazole-5-sulfonamide
CID 121177946
2-phenyl-N-thiophen-3-ylethanesulfonamide
CID 71991634
2-naphthalen-2-yloxy-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]acetamide
CID 121177728
N-[(2-thiophen-3-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide
CID 121177783
3-phenoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propane-1-sulfonamide
CID 91625872

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]ethanesulfonamide?
The IUPAC name of 2-phenyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]ethanesulfonamide (CID 121177892) is 2-phenyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]ethanesulfonamide.
What is the SMILES notation for 2-phenyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]ethanesulfonamide?
The canonical SMILES for 2-phenyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]ethanesulfonamide is O=S(=O)(CCc1ccccc1)NCc1cccnc1-c1ccsc1.
What is the InChIKey of 2-phenyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]ethanesulfonamide?
The InChIKey is JJDVXGANNBDHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S2/c21-24(22,12-9-15-5-2-1-3-6-15)20-13-16-7-4-10-19-18(16)17-8-11-23-14-17/h1-8,10-11,14,20H,9,12-13H2.
What are the key properties of 2-phenyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]ethanesulfonamide?
2-phenyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]ethanesulfonamide has a molecular weight of 358.49 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]ethanesulfonamide is sourced from PubChem (CID 121177892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).