5-(ethylsulfamoyl)-2-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide

C22H27N3O4S — CID 43043536

IUPAC5-(ethylsulfamoyl)-2-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)NCc2ccc(C(=O)N3CCCC3)cc2)c1
InChIInChI=1S/C22H27N3O4S/c1-3-24-30(28,29)19-11-6-16(2)20(14-19)21(26)23-15-17-7-9-18(10-8-17)22(27)25-12-4-5-13-25/h6-11,14,24H,3-5,12-13,15H2,1-2H3,(H,23,26)
InChIKeyQLYCXACHVSUUIA-UHFFFAOYSA-N
MW429.54 g/mol
LogP2.46
Rot. Bonds7

About 5-(ethylsulfamoyl)-2-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide

5-(ethylsulfamoyl)-2-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide (PubChem CID 43043536) has the molecular formula C22H27N3O4S and a molecular weight of 429.54 g/mol. Its IUPAC name is 5-(ethylsulfamoyl)-2-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name5-(ethylsulfamoyl)-2-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
PubChem CID43043536
Molecular FormulaC22H27N3O4S
Molecular Weight429.54 g/mol
Exact Mass429.17
IUPAC Name5-(ethylsulfamoyl)-2-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)NCc2ccc(C(=O)N3CCCC3)cc2)c1
InChIInChI=1S/C22H27N3O4S/c1-3-24-30(28,29)19-11-6-16(2)20(14-19)21(26)23-15-17-7-9-18(10-8-17)22(27)25-12-4-5-13-25/h6-11,14,24H,3-5,12-13,15H2,1-2H3,(H,23,26)
InChIKeyQLYCXACHVSUUIA-UHFFFAOYSA-N
XLogP2.46
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 27658634
5-(ethylsulfamoyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-methylbenzamide
CID 56552234
2-methyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-5-piperidin-1-ylsulfonylbenzamide
CID 55693333
5-(ethylsulfamoyl)-N,2-dimethylbenzamide
CID 6461284
N-(2-aminoethyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 119382412
N-ethyl-4-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]benzenesulfonamide
CID 32771990
N-ethyl-4-methyl-3-(piperazine-1-carbonyl)benzenesulfonamide
CID 119400509
N-ethyl-3-(4-ethylpiperazine-1-carbonyl)-4-methylbenzenesulfonamide
CID 78782911
N-[(3-acetamidophenyl)methyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 39573261
N-butyl-5-(ethylsulfamoyl)-2-methylbenzamide
CID 35710044
N-ethyl-4-methyl-3-(4-methylidenepiperidine-1-carbonyl)benzenesulfonamide
CID 52910564
5-(ethylsulfamoyl)-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500419

Frequently Asked Questions

What is the IUPAC name of 5-(ethylsulfamoyl)-2-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide?
The IUPAC name of 5-(ethylsulfamoyl)-2-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide (CID 43043536) is 5-(ethylsulfamoyl)-2-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide.
What is the SMILES notation for 5-(ethylsulfamoyl)-2-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide?
The canonical SMILES for 5-(ethylsulfamoyl)-2-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide is CCNS(=O)(=O)c1ccc(C)c(C(=O)NCc2ccc(C(=O)N3CCCC3)cc2)c1.
What is the InChIKey of 5-(ethylsulfamoyl)-2-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide?
The InChIKey is QLYCXACHVSUUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4S/c1-3-24-30(28,29)19-11-6-16(2)20(14-19)21(26)23-15-17-7-9-18(10-8-17)22(27)25-12-4-5-13-25/h6-11,14,24H,3-5,12-13,15H2,1-2H3,(H,23,26).
What are the key properties of 5-(ethylsulfamoyl)-2-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide?
5-(ethylsulfamoyl)-2-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide has a molecular weight of 429.54 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylsulfamoyl)-2-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide is sourced from PubChem (CID 43043536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).