N-[3-[[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]methyl]phenyl]pyridine-4-carboxamide

C24H24N4O4S — CID 55953105

IUPACN-[3-[[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]methyl]phenyl]pyridine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NCc1cccc(NC(=O)c2ccncc2)c1
InChIInChI=1S/C24H24N4O4S/c1-16-5-8-21(33(31,32)28-19-6-7-19)14-22(16)24(30)26-15-17-3-2-4-20(13-17)27-23(29)18-9-11-25-12-10-18/h2-5,8-14,19,28H,6-7,15H2,1H3,(H,26,30)(H,27,29)
InChIKeyYEBYRMNRGGBWPZ-UHFFFAOYSA-N
MW464.55 g/mol
LogP3.01
Rot. Bonds8

About N-[3-[[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]methyl]phenyl]pyridine-4-carboxamide

N-[3-[[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]methyl]phenyl]pyridine-4-carboxamide (PubChem CID 55953105) has the molecular formula C24H24N4O4S and a molecular weight of 464.55 g/mol. Its IUPAC name is N-[3-[[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]methyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]methyl]phenyl]pyridine-4-carboxamide
PubChem CID55953105
Molecular FormulaC24H24N4O4S
Molecular Weight464.55 g/mol
Exact Mass464.15
IUPAC NameN-[3-[[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]methyl]phenyl]pyridine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NCc1cccc(NC(=O)c2ccncc2)c1
InChIInChI=1S/C24H24N4O4S/c1-16-5-8-21(33(31,32)28-19-6-7-19)14-22(16)24(30)26-15-17-3-2-4-20(13-17)27-23(29)18-9-11-25-12-10-18/h2-5,8-14,19,28H,6-7,15H2,1H3,(H,26,30)(H,27,29)
InChIKeyYEBYRMNRGGBWPZ-UHFFFAOYSA-N
XLogP3.01
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(cyclopropylsulfamoyl)-N-[3-(ethylaminomethyl)phenyl]-2-methylbenzamide;hydrochloride
CID 119438257
5-(cyclopropylsulfamoyl)-N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-methylbenzamide
CID 46401488
N-(3-chlorophenyl)-5-(cyclopropylsulfamoyl)-2-methylbenzamide
CID 34744641
N-[(3-acetamidophenyl)methyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 39573261
5-(cyclopropylsulfamoyl)-2-methyl-N-[(4-nitrophenyl)methyl]benzamide
CID 55945412
5-(cyclopropylsulfamoyl)-2-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]benzamide
CID 39502349
3-(cyclopentylsulfamoyl)-N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]benzamide
CID 55894287
3-(cyclopropylsulfamoyl)-N-pyridin-4-ylbenzamide
CID 27700197
N-[3-(benzamidomethyl)phenyl]pyridine-4-carboxamide
CID 166187411
5-(cyclopropylsulfamoyl)-N-[4-(diethylcarbamoyl)phenyl]-2-methylbenzamide
CID 24585975
3-(cyclopropylsulfamoyl)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide
CID 55953779
2-bromo-5-(cyclopropylsulfamoyl)-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
CID 55724612

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]methyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-[[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]methyl]phenyl]pyridine-4-carboxamide (CID 55953105) is N-[3-[[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]methyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]methyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]methyl]phenyl]pyridine-4-carboxamide is Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NCc1cccc(NC(=O)c2ccncc2)c1.
What is the InChIKey of N-[3-[[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]methyl]phenyl]pyridine-4-carboxamide?
The InChIKey is YEBYRMNRGGBWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4S/c1-16-5-8-21(33(31,32)28-19-6-7-19)14-22(16)24(30)26-15-17-3-2-4-20(13-17)27-23(29)18-9-11-25-12-10-18/h2-5,8-14,19,28H,6-7,15H2,1H3,(H,26,30)(H,27,29).
What are the key properties of N-[3-[[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]methyl]phenyl]pyridine-4-carboxamide?
N-[3-[[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]methyl]phenyl]pyridine-4-carboxamide has a molecular weight of 464.55 g/mol, XLogP of 3.01, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]methyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 55953105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).