N-[2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-3-(diethylsulfamoyl)benzamide

C24H31N3O4S — CID 46592089

IUPACN-[2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-3-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N(Cc2ccc(C)cc2)C2CC2)c1
InChIInChI=1S/C24H31N3O4S/c1-4-26(5-2)32(30,31)22-8-6-7-20(15-22)24(29)25-16-23(28)27(21-13-14-21)17-19-11-9-18(3)10-12-19/h6-12,15,21H,4-5,13-14,16-17H2,1-3H3,(H,25,29)
InChIKeyFOKLJNQOVJSSHM-UHFFFAOYSA-N
MW457.60 g/mol
LogP2.95
Rot. Bonds10

About N-[2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-3-(diethylsulfamoyl)benzamide

N-[2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-3-(diethylsulfamoyl)benzamide (PubChem CID 46592089) has the molecular formula C24H31N3O4S and a molecular weight of 457.60 g/mol. Its IUPAC name is N-[2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-3-(diethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-3-(diethylsulfamoyl)benzamide
PubChem CID46592089
Molecular FormulaC24H31N3O4S
Molecular Weight457.60 g/mol
Exact Mass457.20
IUPAC NameN-[2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-3-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N(Cc2ccc(C)cc2)C2CC2)c1
InChIInChI=1S/C24H31N3O4S/c1-4-26(5-2)32(30,31)22-8-6-7-20(15-22)24(29)25-16-23(28)27(21-13-14-21)17-19-11-9-18(3)10-12-19/h6-12,15,21H,4-5,13-14,16-17H2,1-3H3,(H,25,29)
InChIKeyFOKLJNQOVJSSHM-UHFFFAOYSA-N
XLogP2.95
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.60
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-[2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 46592100
3-(diethylsulfamoyl)-N-propylbenzamide
CID 2709423
methyl 3-[cyclopropyl-[(4-methylphenyl)methyl]sulfamoyl]benzoate
CID 35403081
N-[2-(dimethylamino)-2-oxoethyl]-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 9480630
3-(diethylsulfamoyl)-N-[2-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]benzamide
CID 98212713
3-(diethylsulfamoyl)-N-methylbenzamide
CID 47099917
N-[(2-cyclopentyloxyphenyl)methyl]-3-(diethylsulfamoyl)benzamide
CID 52656968
3-(diethylsulfamoyl)-N-[2-(dimethylamino)ethyl]benzamide
CID 2196169
N-(1,3-benzodioxol-5-ylmethyl)-3-(diethylsulfamoyl)benzamide
CID 2082413
3-(diethylsulfamoyl)-N-[2-(hexylamino)-2-oxoethyl]benzamide
CID 32646437
3-(diethylsulfamoyl)-N-(4-ethylphenyl)benzamide
CID 2684396
3-(diethylsulfamoyl)-N-[2-[[(3R)-1-methylpiperidin-3-yl]methylamino]-2-oxoethyl]benzamide
CID 96501882

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-3-(diethylsulfamoyl)benzamide?
The IUPAC name of N-[2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-3-(diethylsulfamoyl)benzamide (CID 46592089) is N-[2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-3-(diethylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-3-(diethylsulfamoyl)benzamide?
The canonical SMILES for N-[2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-3-(diethylsulfamoyl)benzamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N(Cc2ccc(C)cc2)C2CC2)c1.
What is the InChIKey of N-[2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-3-(diethylsulfamoyl)benzamide?
The InChIKey is FOKLJNQOVJSSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4S/c1-4-26(5-2)32(30,31)22-8-6-7-20(15-22)24(29)25-16-23(28)27(21-13-14-21)17-19-11-9-18(3)10-12-19/h6-12,15,21H,4-5,13-14,16-17H2,1-3H3,(H,25,29).
What are the key properties of N-[2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-3-(diethylsulfamoyl)benzamide?
N-[2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-3-(diethylsulfamoyl)benzamide has a molecular weight of 457.60 g/mol, XLogP of 2.95, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-3-(diethylsulfamoyl)benzamide is sourced from PubChem (CID 46592089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).