N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-3-pyridin-2-ylpropanamide

C22H23N3O3S — CID 60599848

IUPACN-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-3-pyridin-2-ylpropanamide
SMILESCc1cccc(NS(=O)(=O)c2cc(NC(=O)CCc3ccccn3)ccc2C)c1
InChIInChI=1S/C22H23N3O3S/c1-16-6-5-8-20(14-16)25-29(27,28)21-15-19(10-9-17(21)2)24-22(26)12-11-18-7-3-4-13-23-18/h3-10,13-15,25H,11-12H2,1-2H3,(H,24,26)
InChIKeyQAERFMKSNCMYAN-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.07
Rot. Bonds7

About N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-3-pyridin-2-ylpropanamide

N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-3-pyridin-2-ylpropanamide (PubChem CID 60599848) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-3-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-3-pyridin-2-ylpropanamide
PubChem CID60599848
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC NameN-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-3-pyridin-2-ylpropanamide
SMILESCc1cccc(NS(=O)(=O)c2cc(NC(=O)CCc3ccccn3)ccc2C)c1
InChIInChI=1S/C22H23N3O3S/c1-16-6-5-8-20(14-16)25-29(27,28)21-15-19(10-9-17(21)2)24-22(26)12-11-18-7-3-4-13-23-18/h3-10,13-15,25H,11-12H2,1-2H3,(H,24,26)
InChIKeyQAERFMKSNCMYAN-UHFFFAOYSA-N
XLogP4.07
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-pyridin-2-ylpropanamide
CID 60599784
4-methyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]pentanamide
CID 25342400
4-amino-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]pentanamide;hydrochloride
CID 120558919
N-(3-bromo-4-methylphenyl)-3-pyridin-2-ylpropanamide
CID 110389230
N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 60548909
3-cyclopentylsulfonyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]propanamide
CID 55789622
N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-2-(trifluoromethylsulfanyl)acetamide
CID 39908102
(2R)-2-methyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]butanamide
CID 35678664
2-methyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]butanamide
CID 42940924
2-methyl-3-(methylamino)-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]propanamide;hydrochloride
CID 119679343
3-pyridin-2-yl-N-(2,4,6-trimethylphenyl)propanamide
CID 47468107
N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 60548847

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-3-pyridin-2-ylpropanamide?
The IUPAC name of N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-3-pyridin-2-ylpropanamide (CID 60599848) is N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-3-pyridin-2-ylpropanamide.
What is the SMILES notation for N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-3-pyridin-2-ylpropanamide?
The canonical SMILES for N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-3-pyridin-2-ylpropanamide is Cc1cccc(NS(=O)(=O)c2cc(NC(=O)CCc3ccccn3)ccc2C)c1.
What is the InChIKey of N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-3-pyridin-2-ylpropanamide?
The InChIKey is QAERFMKSNCMYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-16-6-5-8-20(14-16)25-29(27,28)21-15-19(10-9-17(21)2)24-22(26)12-11-18-7-3-4-13-23-18/h3-10,13-15,25H,11-12H2,1-2H3,(H,24,26).
What are the key properties of N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-3-pyridin-2-ylpropanamide?
N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-3-pyridin-2-ylpropanamide has a molecular weight of 409.51 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-3-pyridin-2-ylpropanamide is sourced from PubChem (CID 60599848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).