3-(dimethylsulfamoyl)-4,5-dimethyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide

C23H29N3O4S — CID 43043512

IUPAC3-(dimethylsulfamoyl)-4,5-dimethyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
SMILESCc1cc(C(=O)NCc2ccc(C(=O)N3CCCC3)cc2)cc(S(=O)(=O)N(C)C)c1C
InChIInChI=1S/C23H29N3O4S/c1-16-13-20(14-21(17(16)2)31(29,30)25(3)4)22(27)24-15-18-7-9-19(10-8-18)23(28)26-11-5-6-12-26/h7-10,13-14H,5-6,11-12,15H2,1-4H3,(H,24,27)
InChIKeySPOPUOMMZLJFPF-UHFFFAOYSA-N
MW443.57 g/mol
LogP2.72
Rot. Bonds6

About 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide

3-(dimethylsulfamoyl)-4,5-dimethyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide (PubChem CID 43043512) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-4,5-dimethyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
PubChem CID43043512
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC Name3-(dimethylsulfamoyl)-4,5-dimethyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
SMILESCc1cc(C(=O)NCc2ccc(C(=O)N3CCCC3)cc2)cc(S(=O)(=O)N(C)C)c1C
InChIInChI=1S/C23H29N3O4S/c1-16-13-20(14-21(17(16)2)31(29,30)25(3)4)22(27)24-15-18-7-9-19(10-8-18)23(28)26-11-5-6-12-26/h7-10,13-14H,5-6,11-12,15H2,1-4H3,(H,24,27)
InChIKeySPOPUOMMZLJFPF-UHFFFAOYSA-N
XLogP2.72
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-3-(dimethylsulfamoyl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 29333465
3-(dimethylsulfamoyl)-4,5-dimethyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 55835773
3-(dimethylsulfamoyl)-4,5-dimethyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 46478069
3-(dimethylsulfamoyl)-4,5-dimethyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
CID 56518291
4-(dimethylamino)-3-(dimethylsulfamoyl)-N-[(4-methylphenyl)methyl]benzamide
CID 46349145
[4-(pyrrolidine-1-carbonyl)phenyl]methyl 4-bromo-3-(dimethylsulfamoyl)benzoate
CID 32974340
5-(ethylsulfamoyl)-2-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 43043536
N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]furan-3-carboxamide
CID 18153751
5-(azepane-1-carbonyl)-2-chloro-N,N-dimethylbenzenesulfonamide
CID 26500757
4-methyl-3-methylsulfonyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 47047969
2-[4-[3-(dimethylsulfamoyl)-4,5-dimethylbenzoyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide
CID 55603028
N-[[3-(butanoylamino)phenyl]methyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 55782609

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide (CID 43043512) is 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide is Cc1cc(C(=O)NCc2ccc(C(=O)N3CCCC3)cc2)cc(S(=O)(=O)N(C)C)c1C.
What is the InChIKey of 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide?
The InChIKey is SPOPUOMMZLJFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-16-13-20(14-21(17(16)2)31(29,30)25(3)4)22(27)24-15-18-7-9-19(10-8-18)23(28)26-11-5-6-12-26/h7-10,13-14H,5-6,11-12,15H2,1-4H3,(H,24,27).
What are the key properties of 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide?
3-(dimethylsulfamoyl)-4,5-dimethyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide has a molecular weight of 443.57 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide is sourced from PubChem (CID 43043512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).