N-[[4-[(2-propoxyphenyl)sulfamoyl]phenyl]methyl]pyrrolo[3,2-c]pyridine-1-carboxamide

C24H24N4O4S — CID 87074522

IUPACN-[[4-[(2-propoxyphenyl)sulfamoyl]phenyl]methyl]pyrrolo[3,2-c]pyridine-1-carboxamide
SMILESCCCOc1ccccc1NS(=O)(=O)c1ccc(CNC(=O)n2ccc3cnccc32)cc1
InChIInChI=1S/C24H24N4O4S/c1-2-15-32-23-6-4-3-5-21(23)27-33(30,31)20-9-7-18(8-10-20)16-26-24(29)28-14-12-19-17-25-13-11-22(19)28/h3-14,17,27H,2,15-16H2,1H3,(H,26,29)
InChIKeyJSCFMNWDMSUSOM-UHFFFAOYSA-N
MW464.55 g/mol
LogP4.38
Rot. Bonds8

About N-[[4-[(2-propoxyphenyl)sulfamoyl]phenyl]methyl]pyrrolo[3,2-c]pyridine-1-carboxamide

N-[[4-[(2-propoxyphenyl)sulfamoyl]phenyl]methyl]pyrrolo[3,2-c]pyridine-1-carboxamide (PubChem CID 87074522) has the molecular formula C24H24N4O4S and a molecular weight of 464.55 g/mol. Its IUPAC name is N-[[4-[(2-propoxyphenyl)sulfamoyl]phenyl]methyl]pyrrolo[3,2-c]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-[[4-[(2-propoxyphenyl)sulfamoyl]phenyl]methyl]pyrrolo[3,2-c]pyridine-1-carboxamide
PubChem CID87074522
Molecular FormulaC24H24N4O4S
Molecular Weight464.55 g/mol
Exact Mass464.15
IUPAC NameN-[[4-[(2-propoxyphenyl)sulfamoyl]phenyl]methyl]pyrrolo[3,2-c]pyridine-1-carboxamide
SMILESCCCOc1ccccc1NS(=O)(=O)c1ccc(CNC(=O)n2ccc3cnccc32)cc1
InChIInChI=1S/C24H24N4O4S/c1-2-15-32-23-6-4-3-5-21(23)27-33(30,31)20-9-7-18(8-10-20)16-26-24(29)28-14-12-19-17-25-13-11-22(19)28/h3-14,17,27H,2,15-16H2,1H3,(H,26,29)
InChIKeyJSCFMNWDMSUSOM-UHFFFAOYSA-N
XLogP4.38
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-N-(2-propoxyphenyl)benzenesulfonamide
CID 26952096
N-[[4-[(2-propan-2-yloxyphenyl)sulfamoyl]phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 56943341
3,4-dimethoxy-N-(2-propoxyphenyl)benzenesulfonamide
CID 4828136
2-[(4-butoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]benzamide
CID 46101931
4-methoxy-1-N,3-N-bis(2-propoxyphenyl)benzene-1,3-disulfonamide
CID 25060735
N-[2-(2-hydroxyethoxy)phenyl]-4-methylbenzenesulfonamide
CID 169372164
4-(aminomethyl)-N-(2-ethoxyphenyl)benzenesulfonamide
CID 28546723
1-[(4-fluorophenyl)methyl]-3-(2-propoxyphenyl)urea
CID 38197539
N-[(4-fluorophenyl)methyl]-4-propoxypyridine-3-carboxamide
CID 125490188
N-[2-[(2S)-2-hydroxypropoxy]phenyl]-4-(2-oxo-4-pyridin-3-ylbutyl)benzenesulfonamide
CID 165042728
ethyl N-[[4-[(2-methylphenyl)sulfamoyl]phenyl]methyl]carbamate
CID 847829
3-[(2-methoxyphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 24686310

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-propoxyphenyl)sulfamoyl]phenyl]methyl]pyrrolo[3,2-c]pyridine-1-carboxamide?
The IUPAC name of N-[[4-[(2-propoxyphenyl)sulfamoyl]phenyl]methyl]pyrrolo[3,2-c]pyridine-1-carboxamide (CID 87074522) is N-[[4-[(2-propoxyphenyl)sulfamoyl]phenyl]methyl]pyrrolo[3,2-c]pyridine-1-carboxamide.
What is the SMILES notation for N-[[4-[(2-propoxyphenyl)sulfamoyl]phenyl]methyl]pyrrolo[3,2-c]pyridine-1-carboxamide?
The canonical SMILES for N-[[4-[(2-propoxyphenyl)sulfamoyl]phenyl]methyl]pyrrolo[3,2-c]pyridine-1-carboxamide is CCCOc1ccccc1NS(=O)(=O)c1ccc(CNC(=O)n2ccc3cnccc32)cc1.
What is the InChIKey of N-[[4-[(2-propoxyphenyl)sulfamoyl]phenyl]methyl]pyrrolo[3,2-c]pyridine-1-carboxamide?
The InChIKey is JSCFMNWDMSUSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4S/c1-2-15-32-23-6-4-3-5-21(23)27-33(30,31)20-9-7-18(8-10-20)16-26-24(29)28-14-12-19-17-25-13-11-22(19)28/h3-14,17,27H,2,15-16H2,1H3,(H,26,29).
What are the key properties of N-[[4-[(2-propoxyphenyl)sulfamoyl]phenyl]methyl]pyrrolo[3,2-c]pyridine-1-carboxamide?
N-[[4-[(2-propoxyphenyl)sulfamoyl]phenyl]methyl]pyrrolo[3,2-c]pyridine-1-carboxamide has a molecular weight of 464.55 g/mol, XLogP of 4.38, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-propoxyphenyl)sulfamoyl]phenyl]methyl]pyrrolo[3,2-c]pyridine-1-carboxamide is sourced from PubChem (CID 87074522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).