N-[[4-(3-pyrrolidin-1-ylphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide

C25H23N3O3S2 — CID 66609056

IUPACN-[[4-(3-pyrrolidin-1-ylphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2cccc(N3CCCC3)c2)cc1)c1cc2ccncc2s1
InChIInChI=1S/C25H23N3O3S2/c29-25(23-14-19-10-11-26-17-24(19)32-23)27-16-18-6-8-21(9-7-18)33(30,31)22-5-3-4-20(15-22)28-12-1-2-13-28/h3-11,14-15,17H,1-2,12-13,16H2,(H,27,29)
InChIKeyUYCIPDCJRRAJFI-UHFFFAOYSA-N
MW477.61 g/mol
LogP4.66
Rot. Bonds6

About N-[[4-(3-pyrrolidin-1-ylphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide

N-[[4-(3-pyrrolidin-1-ylphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 66609056) has the molecular formula C25H23N3O3S2 and a molecular weight of 477.61 g/mol. Its IUPAC name is N-[[4-(3-pyrrolidin-1-ylphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(3-pyrrolidin-1-ylphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
PubChem CID66609056
Molecular FormulaC25H23N3O3S2
Molecular Weight477.61 g/mol
Exact Mass477.12
IUPAC NameN-[[4-(3-pyrrolidin-1-ylphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2cccc(N3CCCC3)c2)cc1)c1cc2ccncc2s1
InChIInChI=1S/C25H23N3O3S2/c29-25(23-14-19-10-11-26-17-24(19)32-23)27-16-18-6-8-21(9-7-18)33(30,31)22-5-3-4-20(15-22)28-12-1-2-13-28/h3-11,14-15,17H,1-2,12-13,16H2,(H,27,29)
InChIKeyUYCIPDCJRRAJFI-UHFFFAOYSA-N
XLogP4.66
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.61
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(3-morpholin-4-ylphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
CID 66609891
N-[[4-(3-fluoro-5-pyrrolidin-1-ylphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
CID 66609762
N-[[4-(3-piperidin-1-ylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 66610729
N-[[4-(8-azabicyclo[3.2.1]octan-8-ylsulfonyl)phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
CID 123840440
N-[[4-[(5-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
CID 90012501
N-[[4-[(5-methoxy-3-pyridinyl)sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
CID 90012224
N-[[4-(3-hydroxy-4-propoxyphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
CID 155109632
N-[[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)sulfamoyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
CID 123458845
N-[[4-(benzenesulfonyl)phenyl]methyl]-3H-imidazo[4,5-c]pyridine-2-carboxamide;N-[[4-[2,4-bis(trifluoromethyl)phenyl]sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
CID 88919834
N-[[4-[3-[2-[methyl(2-oxoethyl)amino]phenyl]prop-2-enylsulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
CID 175282367
N-(4-aminocyclohexyl)-4-(aminomethyl)benzenesulfonamide;N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
CID 172843439
N-[[5-[[6-(1,1-difluoroethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
CID 118193584

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-pyrrolidin-1-ylphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[4-(3-pyrrolidin-1-ylphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide (CID 66609056) is N-[[4-(3-pyrrolidin-1-ylphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-(3-pyrrolidin-1-ylphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[4-(3-pyrrolidin-1-ylphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide is O=C(NCc1ccc(S(=O)(=O)c2cccc(N3CCCC3)c2)cc1)c1cc2ccncc2s1.
What is the InChIKey of N-[[4-(3-pyrrolidin-1-ylphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is UYCIPDCJRRAJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3S2/c29-25(23-14-19-10-11-26-17-24(19)32-23)27-16-18-6-8-21(9-7-18)33(30,31)22-5-3-4-20(15-22)28-12-1-2-13-28/h3-11,14-15,17H,1-2,12-13,16H2,(H,27,29).
What are the key properties of N-[[4-(3-pyrrolidin-1-ylphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?
N-[[4-(3-pyrrolidin-1-ylphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 477.61 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-pyrrolidin-1-ylphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 66609056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).