N-[[4-(8-azabicyclo[3.2.1]octan-8-ylsulfonyl)phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide

C22H23N3O3S2 — CID 123840440

IUPACN-[[4-(8-azabicyclo[3.2.1]octan-8-ylsulfonyl)phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2C3CCCC2CC3)cc1)c1cc2ccncc2s1
InChIInChI=1S/C22H23N3O3S2/c26-22(20-12-16-10-11-23-14-21(16)29-20)24-13-15-4-8-19(9-5-15)30(27,28)25-17-2-1-3-18(25)7-6-17/h4-5,8-12,14,17-18H,1-3,6-7,13H2,(H,24,26)
InChIKeyVWNLYFHTXNQBHT-UHFFFAOYSA-N
MW441.58 g/mol
LogP3.93
Rot. Bonds5

About N-[[4-(8-azabicyclo[3.2.1]octan-8-ylsulfonyl)phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide

N-[[4-(8-azabicyclo[3.2.1]octan-8-ylsulfonyl)phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 123840440) has the molecular formula C22H23N3O3S2 and a molecular weight of 441.58 g/mol. Its IUPAC name is N-[[4-(8-azabicyclo[3.2.1]octan-8-ylsulfonyl)phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(8-azabicyclo[3.2.1]octan-8-ylsulfonyl)phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
PubChem CID123840440
Molecular FormulaC22H23N3O3S2
Molecular Weight441.58 g/mol
Exact Mass441.12
IUPAC NameN-[[4-(8-azabicyclo[3.2.1]octan-8-ylsulfonyl)phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2C3CCCC2CC3)cc1)c1cc2ccncc2s1
InChIInChI=1S/C22H23N3O3S2/c26-22(20-12-16-10-11-23-14-21(16)29-20)24-13-15-4-8-19(9-5-15)30(27,28)25-17-2-1-3-18(25)7-6-17/h4-5,8-12,14,17-18H,1-3,6-7,13H2,(H,24,26)
InChIKeyVWNLYFHTXNQBHT-UHFFFAOYSA-N
XLogP3.93
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-(3-pyrrolidin-1-ylphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
CID 66609056
N-[[4-[(5-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
CID 90012501
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-(4-aminocyclohexyl)-4-(aminomethyl)benzenesulfonamide;N-[[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
CID 172843439
N-[[4-[(5-methoxy-3-pyridinyl)sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
CID 90012224
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-(3-hydroxy-4-propoxyphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
CID 155109632
1-[4-(8-azabicyclo[3.2.1]octan-8-ylsulfonyl)phenyl]-3-(pyridin-3-ylmethyl)urea
CID 66610981
N-[(4-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 70919647
N-[[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-c]pyridine-2-carboxamide
CID 159869499

Frequently Asked Questions

What is the IUPAC name of N-[[4-(8-azabicyclo[3.2.1]octan-8-ylsulfonyl)phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[4-(8-azabicyclo[3.2.1]octan-8-ylsulfonyl)phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide (CID 123840440) is N-[[4-(8-azabicyclo[3.2.1]octan-8-ylsulfonyl)phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-(8-azabicyclo[3.2.1]octan-8-ylsulfonyl)phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[4-(8-azabicyclo[3.2.1]octan-8-ylsulfonyl)phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide is O=C(NCc1ccc(S(=O)(=O)N2C3CCCC2CC3)cc1)c1cc2ccncc2s1.
What is the InChIKey of N-[[4-(8-azabicyclo[3.2.1]octan-8-ylsulfonyl)phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is VWNLYFHTXNQBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S2/c26-22(20-12-16-10-11-23-14-21(16)29-20)24-13-15-4-8-19(9-5-15)30(27,28)25-17-2-1-3-18(25)7-6-17/h4-5,8-12,14,17-18H,1-3,6-7,13H2,(H,24,26).
What are the key properties of N-[[4-(8-azabicyclo[3.2.1]octan-8-ylsulfonyl)phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?
N-[[4-(8-azabicyclo[3.2.1]octan-8-ylsulfonyl)phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 441.58 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(8-azabicyclo[3.2.1]octan-8-ylsulfonyl)phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 123840440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).