N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-5-(diethylsulfamoyl)-N,2-dimethylbenzamide

C24H31N3O4S — CID 38394548

IUPACN-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-5-(diethylsulfamoyl)-N,2-dimethylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N(C)Cc2ccc(C(=O)NC3CC3)cc2)c1
InChIInChI=1S/C24H31N3O4S/c1-5-27(6-2)32(30,31)21-14-7-17(3)22(15-21)24(29)26(4)16-18-8-10-19(11-9-18)23(28)25-20-12-13-20/h7-11,14-15,20H,5-6,12-13,16H2,1-4H3,(H,25,28)
InChIKeyUXUUMVJGFSGJIZ-UHFFFAOYSA-N
MW457.60 g/mol
LogP3.19
Rot. Bonds9

About N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-5-(diethylsulfamoyl)-N,2-dimethylbenzamide

N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-5-(diethylsulfamoyl)-N,2-dimethylbenzamide (PubChem CID 38394548) has the molecular formula C24H31N3O4S and a molecular weight of 457.60 g/mol. Its IUPAC name is N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-5-(diethylsulfamoyl)-N,2-dimethylbenzamide.

Molecular Properties

Compound NameN-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-5-(diethylsulfamoyl)-N,2-dimethylbenzamide
PubChem CID38394548
Molecular FormulaC24H31N3O4S
Molecular Weight457.60 g/mol
Exact Mass457.20
IUPAC NameN-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-5-(diethylsulfamoyl)-N,2-dimethylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N(C)Cc2ccc(C(=O)NC3CC3)cc2)c1
InChIInChI=1S/C24H31N3O4S/c1-5-27(6-2)32(30,31)21-14-7-17(3)22(15-21)24(29)26(4)16-18-8-10-19(11-9-18)23(28)25-20-12-13-20/h7-11,14-15,20H,5-6,12-13,16H2,1-4H3,(H,25,28)
InChIKeyUXUUMVJGFSGJIZ-UHFFFAOYSA-N
XLogP3.19
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.60
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 46565905
5-(dimethylsulfamoyl)-N,2-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 8966841
5-(cyclopropylsulfamoyl)-N,2-dimethyl-N-[(4-methylphenyl)methyl]benzamide
CID 18170187
4-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]cyclohexane-1-carboxylic acid
CID 119230116
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,2,3-trimethylbenzamide
CID 38398694
4-[[ethyl-(4-methylphenyl)sulfonylamino]methyl]-N-(1-methylpiperidin-4-yl)benzamide
CID 53278776
N-cyclopropyl-4-[[(3,4-dimethylphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide
CID 24679289
[2-(cyclopropylamino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-methylbenzoate
CID 7902029
4-(diethylsulfamoyl)-N-piperidin-4-ylbenzamide;hydrochloride
CID 119388262
5-(diethylsulfamoyl)-N,2-dimethyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55675449
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methyl-3-nitrobenzamide
CID 38393694
5-(diethylsulfamoyl)-N,N-diethyl-2-methylbenzamide
CID 78777279

Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-5-(diethylsulfamoyl)-N,2-dimethylbenzamide?
The IUPAC name of N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-5-(diethylsulfamoyl)-N,2-dimethylbenzamide (CID 38394548) is N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-5-(diethylsulfamoyl)-N,2-dimethylbenzamide.
What is the SMILES notation for N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-5-(diethylsulfamoyl)-N,2-dimethylbenzamide?
The canonical SMILES for N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-5-(diethylsulfamoyl)-N,2-dimethylbenzamide is CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N(C)Cc2ccc(C(=O)NC3CC3)cc2)c1.
What is the InChIKey of N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-5-(diethylsulfamoyl)-N,2-dimethylbenzamide?
The InChIKey is UXUUMVJGFSGJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4S/c1-5-27(6-2)32(30,31)21-14-7-17(3)22(15-21)24(29)26(4)16-18-8-10-19(11-9-18)23(28)25-20-12-13-20/h7-11,14-15,20H,5-6,12-13,16H2,1-4H3,(H,25,28).
What are the key properties of N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-5-(diethylsulfamoyl)-N,2-dimethylbenzamide?
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-5-(diethylsulfamoyl)-N,2-dimethylbenzamide has a molecular weight of 457.60 g/mol, XLogP of 3.19, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-5-(diethylsulfamoyl)-N,2-dimethylbenzamide is sourced from PubChem (CID 38394548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).