3-(diethylsulfamoyl)-4-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide

C23H31N3O3S — CID 55980552

IUPAC3-(diethylsulfamoyl)-4-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NCc2ccccc2N2CCCC2)ccc1C
InChIInChI=1S/C23H31N3O3S/c1-4-26(5-2)30(28,29)22-16-19(13-12-18(22)3)23(27)24-17-20-10-6-7-11-21(20)25-14-8-9-15-25/h6-7,10-13,16H,4-5,8-9,14-15,17H2,1-3H3,(H,24,27)
InChIKeyICCMSCOXAUICKS-UHFFFAOYSA-N
MW429.59 g/mol
LogP3.56
Rot. Bonds8

About 3-(diethylsulfamoyl)-4-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide

3-(diethylsulfamoyl)-4-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide (PubChem CID 55980552) has the molecular formula C23H31N3O3S and a molecular weight of 429.59 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-4-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-4-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
PubChem CID55980552
Molecular FormulaC23H31N3O3S
Molecular Weight429.59 g/mol
Exact Mass429.21
IUPAC Name3-(diethylsulfamoyl)-4-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NCc2ccccc2N2CCCC2)ccc1C
InChIInChI=1S/C23H31N3O3S/c1-4-26(5-2)30(28,29)22-16-19(13-12-18(22)3)23(27)24-17-20-10-6-7-11-21(20)25-14-8-9-15-25/h6-7,10-13,16H,4-5,8-9,14-15,17H2,1-3H3,(H,24,27)
InChIKeyICCMSCOXAUICKS-UHFFFAOYSA-N
XLogP3.56
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(diethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-4-methylbenzamide
CID 26241292
4-methyl-3-morpholin-4-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 46977362
3-(dimethylsulfamoyl)-4,5-dimethyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
CID 56518291
3-(diethylsulfamoyl)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47728860
N,N-diethyl-2-methyl-5-(2-phenylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 55495250
3-(diethylsulfamoyl)-4-methyl-N-(3-phenylpropyl)benzamide
CID 27647029
N-[[3-(diethylaminomethyl)phenyl]methyl]-3-(diethylsulfamoyl)-4-methylbenzamide
CID 55769177
N,N-diethyl-2-methyl-5-[[(4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 2648443
3-(diethylsulfamoyl)-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylbenzamide
CID 27231281
3-(diethylsulfamoyl)-4-methyl-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119433491
3-(diethylsulfamoyl)-4-methyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide
CID 49396788
2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]benzoic acid
CID 1379292

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-4-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide?
The IUPAC name of 3-(diethylsulfamoyl)-4-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide (CID 55980552) is 3-(diethylsulfamoyl)-4-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-4-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-4-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2ccccc2N2CCCC2)ccc1C.
What is the InChIKey of 3-(diethylsulfamoyl)-4-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide?
The InChIKey is ICCMSCOXAUICKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3S/c1-4-26(5-2)30(28,29)22-16-19(13-12-18(22)3)23(27)24-17-20-10-6-7-11-21(20)25-14-8-9-15-25/h6-7,10-13,16H,4-5,8-9,14-15,17H2,1-3H3,(H,24,27).
What are the key properties of 3-(diethylsulfamoyl)-4-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide?
3-(diethylsulfamoyl)-4-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide has a molecular weight of 429.59 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-4-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide is sourced from PubChem (CID 55980552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).