N-[[4-(4-methoxy-3-methylphenyl)sulfonylphenyl]methyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

C23H23N3O4S — CID 138592993

IUPACN-[[4-(4-methoxy-3-methylphenyl)sulfonylphenyl]methyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)c2ccc(CNC(=O)C3Cc4cnccc4N3)cc2)cc1C
InChIInChI=1S/C23H23N3O4S/c1-15-11-19(7-8-22(15)30-2)31(28,29)18-5-3-16(4-6-18)13-25-23(27)21-12-17-14-24-10-9-20(17)26-21/h3-11,14,21,26H,12-13H2,1-2H3,(H,25,27)
InChIKeyPLAWVLLZFNQDII-UHFFFAOYSA-N
MW437.52 g/mol
LogP2.88
Rot. Bonds6

About N-[[4-(4-methoxy-3-methylphenyl)sulfonylphenyl]methyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

N-[[4-(4-methoxy-3-methylphenyl)sulfonylphenyl]methyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 138592993) has the molecular formula C23H23N3O4S and a molecular weight of 437.52 g/mol. Its IUPAC name is N-[[4-(4-methoxy-3-methylphenyl)sulfonylphenyl]methyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-methoxy-3-methylphenyl)sulfonylphenyl]methyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
PubChem CID138592993
Molecular FormulaC23H23N3O4S
Molecular Weight437.52 g/mol
Exact Mass437.14
IUPAC NameN-[[4-(4-methoxy-3-methylphenyl)sulfonylphenyl]methyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)c2ccc(CNC(=O)C3Cc4cnccc4N3)cc2)cc1C
InChIInChI=1S/C23H23N3O4S/c1-15-11-19(7-8-22(15)30-2)31(28,29)18-5-3-16(4-6-18)13-25-23(27)21-12-17-14-24-10-9-20(17)26-21/h3-11,14,21,26H,12-13H2,1-2H3,(H,25,27)
InChIKeyPLAWVLLZFNQDII-UHFFFAOYSA-N
XLogP2.88
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methoxy-3-methylphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 1093389
N-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)phenyl]methyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 138592930
N-[[4-(1H-indazol-6-ylsulfamoyl)phenyl]methyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 146220915
N-[(4-fluorophenyl)methyl]-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 28549809
N-[(4-fluorophenyl)methyl]-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 43872836
(3S)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861831
1-(4-methoxy-3-methylphenyl)sulfonyl-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide
CID 43874869
N-[[4-(3-ethoxy-4-fluorophenyl)sulfonylphenyl]methyl]spiro[1,2-dihydropyrrolo[3,2-c]pyridine-3,1'-cyclodecane]-2-carboxamide
CID 138592967
1-(3,4-dimethoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 1088313
(3S)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861835
3-cyclononyl-N-[(4-pyridin-3-ylsulfonylphenyl)methyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 155109608
(2S)-N-[(3-fluoro-4-methylphenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 61155551

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methoxy-3-methylphenyl)sulfonylphenyl]methyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of N-[[4-(4-methoxy-3-methylphenyl)sulfonylphenyl]methyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (CID 138592993) is N-[[4-(4-methoxy-3-methylphenyl)sulfonylphenyl]methyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-(4-methoxy-3-methylphenyl)sulfonylphenyl]methyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[4-(4-methoxy-3-methylphenyl)sulfonylphenyl]methyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is COc1ccc(S(=O)(=O)c2ccc(CNC(=O)C3Cc4cnccc4N3)cc2)cc1C.
What is the InChIKey of N-[[4-(4-methoxy-3-methylphenyl)sulfonylphenyl]methyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The InChIKey is PLAWVLLZFNQDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4S/c1-15-11-19(7-8-22(15)30-2)31(28,29)18-5-3-16(4-6-18)13-25-23(27)21-12-17-14-24-10-9-20(17)26-21/h3-11,14,21,26H,12-13H2,1-2H3,(H,25,27).
What are the key properties of N-[[4-(4-methoxy-3-methylphenyl)sulfonylphenyl]methyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
N-[[4-(4-methoxy-3-methylphenyl)sulfonylphenyl]methyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 437.52 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-methoxy-3-methylphenyl)sulfonylphenyl]methyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 138592993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).