N-(5-methyl-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]thiophene-2-carboxamide

C24H20N4O4S2 — CID 18728193

IUPACN-(5-methyl-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2sccc2NC(=O)c2ccc(-c3ccccc3S(N)(=O)=O)cc2)nc1
InChIInChI=1S/C24H20N4O4S2/c1-15-6-11-21(26-14-15)28-24(30)22-19(12-13-33-22)27-23(29)17-9-7-16(8-10-17)18-4-2-3-5-20(18)34(25,31)32/h2-14H,1H3,(H,27,29)(H2,25,31,32)(H,26,28,30)
InChIKeyNAISGAQNLXLDJS-UHFFFAOYSA-N
MW492.58 g/mol
LogP4.27
Rot. Bonds6

About N-(5-methyl-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]thiophene-2-carboxamide

N-(5-methyl-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]thiophene-2-carboxamide (PubChem CID 18728193) has the molecular formula C24H20N4O4S2 and a molecular weight of 492.58 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]thiophene-2-carboxamide
PubChem CID18728193
Molecular FormulaC24H20N4O4S2
Molecular Weight492.58 g/mol
Exact Mass492.09
IUPAC NameN-(5-methyl-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2sccc2NC(=O)c2ccc(-c3ccccc3S(N)(=O)=O)cc2)nc1
InChIInChI=1S/C24H20N4O4S2/c1-15-6-11-21(26-14-15)28-24(30)22-19(12-13-33-22)27-23(29)17-9-7-16(8-10-17)18-4-2-3-5-20(18)34(25,31)32/h2-14H,1H3,(H,27,29)(H2,25,31,32)(H,26,28,30)
InChIKeyNAISGAQNLXLDJS-UHFFFAOYSA-N
XLogP4.27
TPSA131.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]thiophene-2-carboxamide?
The IUPAC name of N-(5-methyl-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]thiophene-2-carboxamide (CID 18728193) is N-(5-methyl-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]thiophene-2-carboxamide.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]thiophene-2-carboxamide?
The canonical SMILES for N-(5-methyl-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]thiophene-2-carboxamide is Cc1ccc(NC(=O)c2sccc2NC(=O)c2ccc(-c3ccccc3S(N)(=O)=O)cc2)nc1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]thiophene-2-carboxamide?
The InChIKey is NAISGAQNLXLDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O4S2/c1-15-6-11-21(26-14-15)28-24(30)22-19(12-13-33-22)27-23(29)17-9-7-16(8-10-17)18-4-2-3-5-20(18)34(25,31)32/h2-14H,1H3,(H,27,29)(H2,25,31,32)(H,26,28,30).
What are the key properties of N-(5-methyl-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]thiophene-2-carboxamide?
N-(5-methyl-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]thiophene-2-carboxamide has a molecular weight of 492.58 g/mol, XLogP of 4.27, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]thiophene-2-carboxamide is sourced from PubChem (CID 18728193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).