4-[2-[[3-cyano-5-(cyclohexylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]amino]prop-2-enyl]benzenesulfonamide

C24H30N4O2S2 — CID 167297744

IUPAC4-[2-[[3-cyano-5-(cyclohexylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]amino]prop-2-enyl]benzenesulfonamide
SMILESC=C(Cc1ccc(S(N)(=O)=O)cc1)Nc1sc2c(c1C#N)CN(CC1CCCCC1)CC2
InChIInChI=1S/C24H30N4O2S2/c1-17(13-18-7-9-20(10-8-18)32(26,29)30)27-24-21(14-25)22-16-28(12-11-23(22)31-24)15-19-5-3-2-4-6-19/h7-10,19,27H,1-6,11-13,15-16H2,(H2,26,29,30)
InChIKeyAZQOUTKCYCWNMO-UHFFFAOYSA-N
MW470.66 g/mol
LogP4.37
Rot. Bonds7

About 4-[2-[[3-cyano-5-(cyclohexylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]amino]prop-2-enyl]benzenesulfonamide

4-[2-[[3-cyano-5-(cyclohexylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]amino]prop-2-enyl]benzenesulfonamide (PubChem CID 167297744) has the molecular formula C24H30N4O2S2 and a molecular weight of 470.66 g/mol. Its IUPAC name is 4-[2-[[3-cyano-5-(cyclohexylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]amino]prop-2-enyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[[3-cyano-5-(cyclohexylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]amino]prop-2-enyl]benzenesulfonamide
PubChem CID167297744
Molecular FormulaC24H30N4O2S2
Molecular Weight470.66 g/mol
Exact Mass470.18
IUPAC Name4-[2-[[3-cyano-5-(cyclohexylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]amino]prop-2-enyl]benzenesulfonamide
SMILESC=C(Cc1ccc(S(N)(=O)=O)cc1)Nc1sc2c(c1C#N)CN(CC1CCCCC1)CC2
InChIInChI=1S/C24H30N4O2S2/c1-17(13-18-7-9-20(10-8-18)32(26,29)30)27-24-21(14-25)22-16-28(12-11-23(22)31-24)15-19-5-3-2-4-6-19/h7-10,19,27H,1-6,11-13,15-16H2,(H2,26,29,30)
InChIKeyAZQOUTKCYCWNMO-UHFFFAOYSA-N
XLogP4.37
TPSA99.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.66
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[2-[[3-cyano-5-(cyclohexylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]amino]prop-2-enyl]benzenesulfonamide with MolForge

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Related Compounds

N-[3-cyano-5-(cyclohexylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-2-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 156754459
bromomethylcyclopentane;N-[3-cyano-5-(cyclopentylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-2-(4-sulfamoylphenyl)acetamide;N-(3-cyano-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-2-(4-sulfamoylphenyl)acetamide
CID 163711037
N-[3-cyano-5-(cyclohexylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-2-(5-sulfamoylthiophen-2-yl)acetamide
CID 162512169
N-[3-cyano-6-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-(4-sulfamoylphenyl)acetamide
CID 156754463
methyl 2-[[3-cyano-2-[[2-(4-sulfamoylphenyl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]methyl]benzoate
CID 146279833
methyl 3-[[3-cyano-2-[[2-(4-sulfamoylphenyl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]methyl]benzoate
CID 156754498
5-(cyclohexylmethyl)-2-(methylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile;methyl N-[3-cyano-5-(cyclohexylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]methanimidate
CID 163816486
N-[3-cyano-5-[(3,5-difluorophenyl)methyl]-6-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-2-(4-sulfamoylphenyl)acetamide
CID 162512170
methyl N-[3-cyano-5-(cyclohexylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]methanimidate
CID 163530608
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-nitrophenyl)acetamide
CID 4081891
2-amino-5-(cyclohexylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile;methyl N-[3-cyano-5-(cyclohexylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]methanimidate
CID 163531124
tert-butyl 2-amino-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 3-cyano-2-[[2-(4-sulfamoylphenyl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;2-(4-sulfamoylphenyl)acetic acid
CID 163484667

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[3-cyano-5-(cyclohexylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]amino]prop-2-enyl]benzenesulfonamide?
The IUPAC name of 4-[2-[[3-cyano-5-(cyclohexylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]amino]prop-2-enyl]benzenesulfonamide (CID 167297744) is 4-[2-[[3-cyano-5-(cyclohexylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]amino]prop-2-enyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[[3-cyano-5-(cyclohexylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]amino]prop-2-enyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[[3-cyano-5-(cyclohexylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]amino]prop-2-enyl]benzenesulfonamide is C=C(Cc1ccc(S(N)(=O)=O)cc1)Nc1sc2c(c1C#N)CN(CC1CCCCC1)CC2.
What is the InChIKey of 4-[2-[[3-cyano-5-(cyclohexylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]amino]prop-2-enyl]benzenesulfonamide?
The InChIKey is AZQOUTKCYCWNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2S2/c1-17(13-18-7-9-20(10-8-18)32(26,29)30)27-24-21(14-25)22-16-28(12-11-23(22)31-24)15-19-5-3-2-4-6-19/h7-10,19,27H,1-6,11-13,15-16H2,(H2,26,29,30).
What are the key properties of 4-[2-[[3-cyano-5-(cyclohexylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]amino]prop-2-enyl]benzenesulfonamide?
4-[2-[[3-cyano-5-(cyclohexylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]amino]prop-2-enyl]benzenesulfonamide has a molecular weight of 470.66 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[3-cyano-5-(cyclohexylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]amino]prop-2-enyl]benzenesulfonamide is sourced from PubChem (CID 167297744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).