2-(2-methoxyanilino)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-3-carboxamide

C24H28N4O4S — CID 31945919

IUPAC2-(2-methoxyanilino)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESCOc1ccccc1Nc1ncccc1C(=O)NCc1ccccc1CS(=O)(=O)NC(C)C
InChIInChI=1S/C24H28N4O4S/c1-17(2)28-33(30,31)16-19-10-5-4-9-18(19)15-26-24(29)20-11-8-14-25-23(20)27-21-12-6-7-13-22(21)32-3/h4-14,17,28H,15-16H2,1-3H3,(H,25,27)(H,26,29)
InChIKeyQYUNAEXMWJNSIZ-UHFFFAOYSA-N
MW468.58 g/mol
LogP3.59
Rot. Bonds10

About 2-(2-methoxyanilino)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-3-carboxamide

2-(2-methoxyanilino)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 31945919) has the molecular formula C24H28N4O4S and a molecular weight of 468.58 g/mol. Its IUPAC name is 2-(2-methoxyanilino)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyanilino)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-3-carboxamide
PubChem CID31945919
Molecular FormulaC24H28N4O4S
Molecular Weight468.58 g/mol
Exact Mass468.18
IUPAC Name2-(2-methoxyanilino)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESCOc1ccccc1Nc1ncccc1C(=O)NCc1ccccc1CS(=O)(=O)NC(C)C
InChIInChI=1S/C24H28N4O4S/c1-17(2)28-33(30,31)16-19-10-5-4-9-18(19)15-26-24(29)20-11-8-14-25-23(20)27-21-12-6-7-13-22(21)32-3/h4-14,17,28H,15-16H2,1-3H3,(H,25,27)(H,26,29)
InChIKeyQYUNAEXMWJNSIZ-UHFFFAOYSA-N
XLogP3.59
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 18121295
2-(2-bromoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 23632978
2-(2-methoxyanilino)-N-propylpyridine-3-carboxamide
CID 32736796
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyanilino)pyridine-3-carboxamide
CID 55394070
2-phenoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 18121319
2-methylsulfanyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 18121288
2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 31945509
2-(2-methoxyanilino)-N-[[3-(3-methylbutanoylamino)phenyl]methyl]pyridine-3-carboxamide
CID 146096764
2-(2-methoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 51250549
2,6-difluoro-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 51279145
2-(2-methoxyanilino)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]pyridine-3-carboxamide
CID 56524162
5-chloro-2-methoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-4-(tetrazol-1-yl)benzamide
CID 55773010

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyanilino)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-(2-methoxyanilino)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-3-carboxamide (CID 31945919) is 2-(2-methoxyanilino)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(2-methoxyanilino)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(2-methoxyanilino)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-3-carboxamide is COc1ccccc1Nc1ncccc1C(=O)NCc1ccccc1CS(=O)(=O)NC(C)C.
What is the InChIKey of 2-(2-methoxyanilino)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is QYUNAEXMWJNSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4S/c1-17(2)28-33(30,31)16-19-10-5-4-9-18(19)15-26-24(29)20-11-8-14-25-23(20)27-21-12-6-7-13-22(21)32-3/h4-14,17,28H,15-16H2,1-3H3,(H,25,27)(H,26,29).
What are the key properties of 2-(2-methoxyanilino)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-3-carboxamide?
2-(2-methoxyanilino)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 468.58 g/mol, XLogP of 3.59, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyanilino)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 31945919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).