N-(1-cyclopropylethyl)-N,4-dimethyl-3-[(4-methylphenyl)sulfamoyl]benzamide

C21H26N2O3S — CID 24658420

IUPACN-(1-cyclopropylethyl)-N,4-dimethyl-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)C(C)C3CC3)ccc2C)cc1
InChIInChI=1S/C21H26N2O3S/c1-14-5-11-19(12-6-14)22-27(25,26)20-13-18(8-7-15(20)2)21(24)23(4)16(3)17-9-10-17/h5-8,11-13,16-17,22H,9-10H2,1-4H3
InChIKeyJCYMXKVUHMLRFJ-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.97
Rot. Bonds6

About N-(1-cyclopropylethyl)-N,4-dimethyl-3-[(4-methylphenyl)sulfamoyl]benzamide

N-(1-cyclopropylethyl)-N,4-dimethyl-3-[(4-methylphenyl)sulfamoyl]benzamide (PubChem CID 24658420) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-N,4-dimethyl-3-[(4-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-N,4-dimethyl-3-[(4-methylphenyl)sulfamoyl]benzamide
PubChem CID24658420
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-(1-cyclopropylethyl)-N,4-dimethyl-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)C(C)C3CC3)ccc2C)cc1
InChIInChI=1S/C21H26N2O3S/c1-14-5-11-19(12-6-14)22-27(25,26)20-13-18(8-7-15(20)2)21(24)23(4)16(3)17-9-10-17/h5-8,11-13,16-17,22H,9-10H2,1-4H3
InChIKeyJCYMXKVUHMLRFJ-UHFFFAOYSA-N
XLogP3.97
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-cyclopropylethyl]-4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 51648761
4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(4-propan-2-ylphenyl)benzamide
CID 4268232
N-benzyl-N,4-dimethyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 4042579
methyl 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoate
CID 967558
4-methyl-N-[1-(4-methylphenyl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 43905231
5-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]-2-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 2336391
N-cyclopropyl-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 4209618
N-(1-cyclopropylethyl)-3-(methanesulfonamido)-N-methylbenzamide
CID 42951669
4-chloro-3-[(3-chloro-4-methylphenyl)sulfamoyl]-N-methyl-N-propan-2-ylbenzamide
CID 78843928
5-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-2-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 25390926
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 26447378
4-methoxy-N-methyl-N-(4-methylcyclohexyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 27165164

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-N,4-dimethyl-3-[(4-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(1-cyclopropylethyl)-N,4-dimethyl-3-[(4-methylphenyl)sulfamoyl]benzamide (CID 24658420) is N-(1-cyclopropylethyl)-N,4-dimethyl-3-[(4-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-N,4-dimethyl-3-[(4-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(1-cyclopropylethyl)-N,4-dimethyl-3-[(4-methylphenyl)sulfamoyl]benzamide is Cc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)C(C)C3CC3)ccc2C)cc1.
What is the InChIKey of N-(1-cyclopropylethyl)-N,4-dimethyl-3-[(4-methylphenyl)sulfamoyl]benzamide?
The InChIKey is JCYMXKVUHMLRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-14-5-11-19(12-6-14)22-27(25,26)20-13-18(8-7-15(20)2)21(24)23(4)16(3)17-9-10-17/h5-8,11-13,16-17,22H,9-10H2,1-4H3.
What are the key properties of N-(1-cyclopropylethyl)-N,4-dimethyl-3-[(4-methylphenyl)sulfamoyl]benzamide?
N-(1-cyclopropylethyl)-N,4-dimethyl-3-[(4-methylphenyl)sulfamoyl]benzamide has a molecular weight of 386.52 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-N,4-dimethyl-3-[(4-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 24658420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).