N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide

C25H31N3O4S — CID 33342779

IUPACN-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
SMILESCc1cc(C(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc(S(=O)(=O)N(C)C)c1C
InChIInChI=1S/C25H31N3O4S/c1-16-13-20(14-23(17(16)2)33(31,32)27(3)4)25(30)28(22-11-12-22)15-18-5-7-19(8-6-18)24(29)26-21-9-10-21/h5-8,13-14,21-22H,9-12,15H2,1-4H3,(H,26,29)
InChIKeyDCMYDWPEZQEKJQ-UHFFFAOYSA-N
MW469.61 g/mol
LogP3.25
Rot. Bonds8

About N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide

N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide (PubChem CID 33342779) has the molecular formula C25H31N3O4S and a molecular weight of 469.61 g/mol. Its IUPAC name is N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
PubChem CID33342779
Molecular FormulaC25H31N3O4S
Molecular Weight469.61 g/mol
Exact Mass469.20
IUPAC NameN-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
SMILESCc1cc(C(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc(S(=O)(=O)N(C)C)c1C
InChIInChI=1S/C25H31N3O4S/c1-16-13-20(14-23(17(16)2)33(31,32)27(3)4)25(30)28(22-11-12-22)15-18-5-7-19(8-6-18)24(29)26-21-9-10-21/h5-8,13-14,21-22H,9-12,15H2,1-4H3,(H,26,29)
InChIKeyDCMYDWPEZQEKJQ-UHFFFAOYSA-N
XLogP3.25
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.61
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide
CID 33339391
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-fluoro-4-methylbenzamide
CID 33344663
N-cyclopropyl-4-[[cyclopropyl-(4-methoxybenzoyl)amino]methyl]benzamide
CID 34178936
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 46533760
N-cyclopropyl-4-[[cyclopropyl(propanoyl)amino]methyl]benzamide
CID 33341018
4-[[[4-(carbamoylamino)benzoyl]-cyclopropylamino]methyl]-N-cyclopropylbenzamide
CID 34180284
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 37431923
N-cyclopropyl-4-[[cyclopropyl-[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]methyl]benzamide
CID 55699387
3-(dimethylsulfamoyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-4,5-dimethylbenzamide
CID 55957487
N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 46579110
2,3-dichloro-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]benzamide
CID 33341415
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-5-(diethylsulfamoyl)-N,2-dimethylbenzamide
CID 38394548

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide?
The IUPAC name of N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide (CID 33342779) is N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide.
What is the SMILES notation for N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide?
The canonical SMILES for N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide is Cc1cc(C(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc(S(=O)(=O)N(C)C)c1C.
What is the InChIKey of N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide?
The InChIKey is DCMYDWPEZQEKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4S/c1-16-13-20(14-23(17(16)2)33(31,32)27(3)4)25(30)28(22-11-12-22)15-18-5-7-19(8-6-18)24(29)26-21-9-10-21/h5-8,13-14,21-22H,9-12,15H2,1-4H3,(H,26,29).
What are the key properties of N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide?
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide has a molecular weight of 469.61 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide is sourced from PubChem (CID 33342779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).