N-[3-cyano-6-[(3-fluorophenyl)methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl]-2-(4-sulfamoylphenyl)acetamide

C23H21FN4O3S2 — CID 163970793

IUPACN-[3-cyano-6-[(3-fluorophenyl)methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl]-2-(4-sulfamoylphenyl)acetamide
SMILESN#Cc1c(NC(=O)Cc2ccc(S(N)(=O)=O)cc2)sc2c1CNC(Cc1cccc(F)c1)C2
InChIInChI=1S/C23H21FN4O3S2/c24-16-3-1-2-15(8-16)9-17-11-21-20(13-27-17)19(12-25)23(32-21)28-22(29)10-14-4-6-18(7-5-14)33(26,30)31/h1-8,17,27H,9-11,13H2,(H,28,29)(H2,26,30,31)
InChIKeySPVCGCCZTRIKNG-UHFFFAOYSA-N
MW484.58 g/mol
LogP2.84
Rot. Bonds6

About N-[3-cyano-6-[(3-fluorophenyl)methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl]-2-(4-sulfamoylphenyl)acetamide

N-[3-cyano-6-[(3-fluorophenyl)methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl]-2-(4-sulfamoylphenyl)acetamide (PubChem CID 163970793) has the molecular formula C23H21FN4O3S2 and a molecular weight of 484.58 g/mol. Its IUPAC name is N-[3-cyano-6-[(3-fluorophenyl)methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl]-2-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound NameN-[3-cyano-6-[(3-fluorophenyl)methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl]-2-(4-sulfamoylphenyl)acetamide
PubChem CID163970793
Molecular FormulaC23H21FN4O3S2
Molecular Weight484.58 g/mol
Exact Mass484.10
IUPAC NameN-[3-cyano-6-[(3-fluorophenyl)methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl]-2-(4-sulfamoylphenyl)acetamide
SMILESN#Cc1c(NC(=O)Cc2ccc(S(N)(=O)=O)cc2)sc2c1CNC(Cc1cccc(F)c1)C2
InChIInChI=1S/C23H21FN4O3S2/c24-16-3-1-2-15(8-16)9-17-11-21-20(13-27-17)19(12-25)23(32-21)28-22(29)10-14-4-6-18(7-5-14)33(26,30)31/h1-8,17,27H,9-11,13H2,(H,28,29)(H2,26,30,31)
InChIKeySPVCGCCZTRIKNG-UHFFFAOYSA-N
XLogP2.84
TPSA125.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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
N-[3-cyano-6-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-(4-sulfamoylphenyl)acetamide
CID 156754463
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-fluorophenyl)acetamide
CID 7597202
4-[2-[[3-cyano-6-ethyl-5-[(3-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]amino]-2-oxoethyl]benzenesulfinate
CID 167297795
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
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-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-fluorophenyl)sulfonylacetamide
CID 43980658
(3S)-N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-3-(3-fluorophenyl)butanamide
CID 68636426
[3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-oxopropyl]-[(3-fluorophenyl)methyl]-methylazanium
CID 8909089
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-3-fluorobenzamide
CID 43430836
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-sulfamoylbenzamide
CID 25044635
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

Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-6-[(3-fluorophenyl)methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl]-2-(4-sulfamoylphenyl)acetamide?
The IUPAC name of N-[3-cyano-6-[(3-fluorophenyl)methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl]-2-(4-sulfamoylphenyl)acetamide (CID 163970793) is N-[3-cyano-6-[(3-fluorophenyl)methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl]-2-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for N-[3-cyano-6-[(3-fluorophenyl)methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl]-2-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for N-[3-cyano-6-[(3-fluorophenyl)methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl]-2-(4-sulfamoylphenyl)acetamide is N#Cc1c(NC(=O)Cc2ccc(S(N)(=O)=O)cc2)sc2c1CNC(Cc1cccc(F)c1)C2.
What is the InChIKey of N-[3-cyano-6-[(3-fluorophenyl)methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl]-2-(4-sulfamoylphenyl)acetamide?
The InChIKey is SPVCGCCZTRIKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O3S2/c24-16-3-1-2-15(8-16)9-17-11-21-20(13-27-17)19(12-25)23(32-21)28-22(29)10-14-4-6-18(7-5-14)33(26,30)31/h1-8,17,27H,9-11,13H2,(H,28,29)(H2,26,30,31).
What are the key properties of N-[3-cyano-6-[(3-fluorophenyl)methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl]-2-(4-sulfamoylphenyl)acetamide?
N-[3-cyano-6-[(3-fluorophenyl)methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl]-2-(4-sulfamoylphenyl)acetamide has a molecular weight of 484.58 g/mol, XLogP of 2.84, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-6-[(3-fluorophenyl)methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl]-2-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 163970793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).