N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-(1-pyridin-4-ylethyl)benzamide

C22H23N3O3S — CID 60571008

IUPACN-methyl-4-[(2-methylphenyl)sulfamoyl]-N-(1-pyridin-4-ylethyl)benzamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C(=O)N(C)C(C)c2ccncc2)cc1
InChIInChI=1S/C22H23N3O3S/c1-16-6-4-5-7-21(16)24-29(27,28)20-10-8-19(9-11-20)22(26)25(3)17(2)18-12-14-23-15-13-18/h4-15,17,24H,1-3H3
InChIKeyNTCFDXRCJBJWEB-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.02
Rot. Bonds6

About N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-(1-pyridin-4-ylethyl)benzamide

N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-(1-pyridin-4-ylethyl)benzamide (PubChem CID 60571008) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-(1-pyridin-4-ylethyl)benzamide.

Molecular Properties

Compound NameN-methyl-4-[(2-methylphenyl)sulfamoyl]-N-(1-pyridin-4-ylethyl)benzamide
PubChem CID60571008
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC NameN-methyl-4-[(2-methylphenyl)sulfamoyl]-N-(1-pyridin-4-ylethyl)benzamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C(=O)N(C)C(C)c2ccncc2)cc1
InChIInChI=1S/C22H23N3O3S/c1-16-6-4-5-7-21(16)24-29(27,28)20-10-8-19(9-11-20)22(26)25(3)17(2)18-12-14-23-15-13-18/h4-15,17,24H,1-3H3
InChIKeyNTCFDXRCJBJWEB-UHFFFAOYSA-N
XLogP4.02
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methoxyphenyl)ethyl]-N-methyl-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 55561483
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 46588331
4-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-(1-pyridin-4-ylethyl)benzamide
CID 60571081
4-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-(1-pyridin-4-ylethyl)benzamide
CID 60571190
N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9305406
N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
CID 86976183
N-methyl-N-[1-(4-methylphenyl)ethyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 134054323
N-methyl-4-(phenylcarbamoylamino)-N-(1-pyridin-4-ylethyl)benzamide
CID 60571084
4-[(2-methylphenyl)sulfamoyl]-N-[(2S)-2-phenylpropyl]benzamide
CID 9164348
4-acetamido-N-methyl-N-(1-pyridin-4-ylethyl)benzamide
CID 60571357
N-(2-methylphenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9342166
4-(cyclopropylsulfamoyl)-N-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 26010203

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-(1-pyridin-4-ylethyl)benzamide?
The IUPAC name of N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-(1-pyridin-4-ylethyl)benzamide (CID 60571008) is N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-(1-pyridin-4-ylethyl)benzamide.
What is the SMILES notation for N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-(1-pyridin-4-ylethyl)benzamide?
The canonical SMILES for N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-(1-pyridin-4-ylethyl)benzamide is Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)N(C)C(C)c2ccncc2)cc1.
What is the InChIKey of N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-(1-pyridin-4-ylethyl)benzamide?
The InChIKey is NTCFDXRCJBJWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-16-6-4-5-7-21(16)24-29(27,28)20-10-8-19(9-11-20)22(26)25(3)17(2)18-12-14-23-15-13-18/h4-15,17,24H,1-3H3.
What are the key properties of N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-(1-pyridin-4-ylethyl)benzamide?
N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-(1-pyridin-4-ylethyl)benzamide has a molecular weight of 409.51 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-(1-pyridin-4-ylethyl)benzamide is sourced from PubChem (CID 60571008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).