(E)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-phenylethenesulfonamide

C18H22N2O2S2 — CID 42958034

IUPAC(E)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-phenylethenesulfonamide
SMILESCC(CNS(=O)(=O)/C=C/c1ccccc1)N1CCc2sccc2C1
InChIInChI=1S/C18H22N2O2S2/c1-15(20-10-7-18-17(14-20)8-11-23-18)13-19-24(21,22)12-9-16-5-3-2-4-6-16/h2-6,8-9,11-12,15,19H,7,10,13-14H2,1H3/b12-9+
InChIKeyHRSCWDPGOKBFNC-FMIVXFBMSA-N
MW362.52 g/mol
LogP3.09
Rot. Bonds6

About (E)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-phenylethenesulfonamide

(E)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-phenylethenesulfonamide (PubChem CID 42958034) has the molecular formula C18H22N2O2S2 and a molecular weight of 362.52 g/mol. Its IUPAC name is (E)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-phenylethenesulfonamide
PubChem CID42958034
Molecular FormulaC18H22N2O2S2
Molecular Weight362.52 g/mol
Exact Mass362.11
IUPAC Name(E)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-phenylethenesulfonamide
SMILESCC(CNS(=O)(=O)/C=C/c1ccccc1)N1CCc2sccc2C1
InChIInChI=1S/C18H22N2O2S2/c1-15(20-10-7-18-17(14-20)8-11-23-18)13-19-24(21,22)12-9-16-5-3-2-4-6-16/h2-6,8-9,11-12,15,19H,7,10,13-14H2,1H3/b12-9+
InChIKeyHRSCWDPGOKBFNC-FMIVXFBMSA-N
XLogP3.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (E)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-phenylethenesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-methoxy-3,5-dimethylbenzenesulfonamide
CID 112823170
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]cyclopropanamine
CID 62439644
2-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-phenylpropanamide;dihydrochloride
CID 119856325
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-propan-2-ylbutan-1-amine
CID 62438747
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]naphthalene-1-carboxamide
CID 46449295
N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-methoxyacetamide
CID 94095217
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-(methylamino)butanamide
CID 119856324
N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]ethanesulfonamide
CID 94060161
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-[1-(3-sulfamoylphenyl)ethyl]urea
CID 78860474
(E)-3-(1-benzyltriazol-4-yl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]prop-2-enamide
CID 46400280
N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]quinoline-2-carboxamide
CID 39185572
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-methyl-3-propan-2-ylguanidine
CID 111126538

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-phenylethenesulfonamide (CID 42958034) is (E)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-phenylethenesulfonamide is CC(CNS(=O)(=O)/C=C/c1ccccc1)N1CCc2sccc2C1.
What is the InChIKey of (E)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-phenylethenesulfonamide?
The InChIKey is HRSCWDPGOKBFNC-FMIVXFBMSA-N. The full InChI is InChI=1S/C18H22N2O2S2/c1-15(20-10-7-18-17(14-20)8-11-23-18)13-19-24(21,22)12-9-16-5-3-2-4-6-16/h2-6,8-9,11-12,15,19H,7,10,13-14H2,1H3/b12-9+.
What are the key properties of (E)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-phenylethenesulfonamide?
(E)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-phenylethenesulfonamide has a molecular weight of 362.52 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-phenylethenesulfonamide is sourced from PubChem (CID 42958034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).