N-[[4-(3-hydroxy-4-propoxyphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide

C24H22N2O5S2 — CID 155109632

IUPACN-[[4-(3-hydroxy-4-propoxyphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESCCCOc1ccc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4s3)cc2)cc1O
InChIInChI=1S/C24H22N2O5S2/c1-2-11-31-21-8-7-19(13-20(21)27)33(29,30)18-5-3-16(4-6-18)14-26-24(28)22-12-17-9-10-25-15-23(17)32-22/h3-10,12-13,15,27H,2,11,14H2,1H3,(H,26,28)
InChIKeySRJZVUWAJPJJGN-UHFFFAOYSA-N
MW482.58 g/mol
LogP4.55
Rot. Bonds8

About N-[[4-(3-hydroxy-4-propoxyphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide

N-[[4-(3-hydroxy-4-propoxyphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 155109632) has the molecular formula C24H22N2O5S2 and a molecular weight of 482.58 g/mol. Its IUPAC name is N-[[4-(3-hydroxy-4-propoxyphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(3-hydroxy-4-propoxyphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
PubChem CID155109632
Molecular FormulaC24H22N2O5S2
Molecular Weight482.58 g/mol
Exact Mass482.10
IUPAC NameN-[[4-(3-hydroxy-4-propoxyphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESCCCOc1ccc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4s3)cc2)cc1O
InChIInChI=1S/C24H22N2O5S2/c1-2-11-31-21-8-7-19(13-20(21)27)33(29,30)18-5-3-16(4-6-18)14-26-24(28)22-12-17-9-10-25-15-23(17)32-22/h3-10,12-13,15,27H,2,11,14H2,1H3,(H,26,28)
InChIKeySRJZVUWAJPJJGN-UHFFFAOYSA-N
XLogP4.55
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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-pyrrolidin-1-ylphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
CID 66609056
N-[[4-(3-fluoro-5-pyrrolidin-1-ylphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
CID 66609762
N-[[4-(3-morpholin-4-ylphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
CID 66609891
N-[[5-[[6-(1,1-difluoroethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
CID 118193584
N-[[4-(8-azabicyclo[3.2.1]octan-8-ylsulfonyl)phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
CID 123840440
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-(5-chloro-2-methoxyphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-(2,3-dimethoxy-5-methylphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 90013323
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-(4-methoxyphenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-(4-propan-2-ylphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[4-[2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 90021112
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

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-hydroxy-4-propoxyphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[4-(3-hydroxy-4-propoxyphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide (CID 155109632) is N-[[4-(3-hydroxy-4-propoxyphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-(3-hydroxy-4-propoxyphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[4-(3-hydroxy-4-propoxyphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide is CCCOc1ccc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4s3)cc2)cc1O.
What is the InChIKey of N-[[4-(3-hydroxy-4-propoxyphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is SRJZVUWAJPJJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O5S2/c1-2-11-31-21-8-7-19(13-20(21)27)33(29,30)18-5-3-16(4-6-18)14-26-24(28)22-12-17-9-10-25-15-23(17)32-22/h3-10,12-13,15,27H,2,11,14H2,1H3,(H,26,28).
What are the key properties of N-[[4-(3-hydroxy-4-propoxyphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?
N-[[4-(3-hydroxy-4-propoxyphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 482.58 g/mol, XLogP of 4.55, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-hydroxy-4-propoxyphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 155109632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).