N-[4-[(4-ethoxyphenyl)sulfamoyl]-2-methoxyphenyl]pyridine-3-carboxamide

C21H21N3O5S — CID 2354347

IUPACN-[4-[(4-ethoxyphenyl)sulfamoyl]-2-methoxyphenyl]pyridine-3-carboxamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccnc3)c(OC)c2)cc1
InChIInChI=1S/C21H21N3O5S/c1-3-29-17-8-6-16(7-9-17)24-30(26,27)18-10-11-19(20(13-18)28-2)23-21(25)15-5-4-12-22-14-15/h4-14,24H,3H2,1-2H3,(H,23,25)
InChIKeyGCICNIFHNOZQPN-UHFFFAOYSA-N
MW427.48 g/mol
LogP3.54
Rot. Bonds8

About N-[4-[(4-ethoxyphenyl)sulfamoyl]-2-methoxyphenyl]pyridine-3-carboxamide

N-[4-[(4-ethoxyphenyl)sulfamoyl]-2-methoxyphenyl]pyridine-3-carboxamide (PubChem CID 2354347) has the molecular formula C21H21N3O5S and a molecular weight of 427.48 g/mol. Its IUPAC name is N-[4-[(4-ethoxyphenyl)sulfamoyl]-2-methoxyphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-ethoxyphenyl)sulfamoyl]-2-methoxyphenyl]pyridine-3-carboxamide
PubChem CID2354347
Molecular FormulaC21H21N3O5S
Molecular Weight427.48 g/mol
Exact Mass427.12
IUPAC NameN-[4-[(4-ethoxyphenyl)sulfamoyl]-2-methoxyphenyl]pyridine-3-carboxamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccnc3)c(OC)c2)cc1
InChIInChI=1S/C21H21N3O5S/c1-3-29-17-8-6-16(7-9-17)24-30(26,27)18-10-11-19(20(13-18)28-2)23-21(25)15-5-4-12-22-14-15/h4-14,24H,3H2,1-2H3,(H,23,25)
InChIKeyGCICNIFHNOZQPN-UHFFFAOYSA-N
XLogP3.54
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(aminosulfonyl)phenyl]-2-phenoxynicotinamide
CID 2812916
5-bromo-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
CID 4267343
2,4-dioxo-N-(4-(pyridin-3-yloxy)phenyl)-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
CID 46966788
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]pyridine-3-carboxamide
CID 3618549
6-chloro-N-{3-[(4-methoxyphenyl)sulfamoyl]phenyl}pyridine-3-carboxamide
CID 3248530
4-Methoxy-benzenesulfonic acid 2-[(pyridine-4-carbonyl)-amino]-phenyl ester
CID 9977312
3-[(4-ethoxyphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 139390939
N-{2-methoxy-4-[(2-methylphenyl)sulfamoyl]phenyl}pyridine-4-carboxamide
CID 1076108
N-(2-Methoxy-4-p-tolylsulfamoyl-phenyl)-isonicotinamide
CID 1078654
N-{4-[(2-methoxyphenyl)sulfamoyl]phenyl}pyridine-4-carboxamide
CID 1078659
N-(benzenesulfonyl)-N-(4-methoxyphenyl)-3-pyridinecarboxamide
CID 1242547
N-(2-methoxy-4-{[(3-methylphenyl)amino]sulfonyl}phenyl)nicotinamide
CID 1305472

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-ethoxyphenyl)sulfamoyl]-2-methoxyphenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[(4-ethoxyphenyl)sulfamoyl]-2-methoxyphenyl]pyridine-3-carboxamide (CID 2354347) is N-[4-[(4-ethoxyphenyl)sulfamoyl]-2-methoxyphenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[(4-ethoxyphenyl)sulfamoyl]-2-methoxyphenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[(4-ethoxyphenyl)sulfamoyl]-2-methoxyphenyl]pyridine-3-carboxamide is CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccnc3)c(OC)c2)cc1.
What is the InChIKey of N-[4-[(4-ethoxyphenyl)sulfamoyl]-2-methoxyphenyl]pyridine-3-carboxamide?
The InChIKey is GCICNIFHNOZQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5S/c1-3-29-17-8-6-16(7-9-17)24-30(26,27)18-10-11-19(20(13-18)28-2)23-21(25)15-5-4-12-22-14-15/h4-14,24H,3H2,1-2H3,(H,23,25).
What are the key properties of N-[4-[(4-ethoxyphenyl)sulfamoyl]-2-methoxyphenyl]pyridine-3-carboxamide?
N-[4-[(4-ethoxyphenyl)sulfamoyl]-2-methoxyphenyl]pyridine-3-carboxamide has a molecular weight of 427.48 g/mol, XLogP of 3.54, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-ethoxyphenyl)sulfamoyl]-2-methoxyphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 2354347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).