N-butyl-N-methyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide

C22H28N2O3S — CID 20973673

IUPACN-butyl-N-methyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESCCCCN(C)C(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C22H28N2O3S/c1-3-4-15-23(2)22(25)20-9-7-18(8-10-20)19-11-13-21(14-12-19)28(26,27)24-16-5-6-17-24/h7-14H,3-6,15-17H2,1-2H3
InChIKeyIENYHLYBHDJGGJ-UHFFFAOYSA-N
MW400.54 g/mol
LogP4.01
Rot. Bonds7

About N-butyl-N-methyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide

N-butyl-N-methyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide (PubChem CID 20973673) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is N-butyl-N-methyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound NameN-butyl-N-methyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
PubChem CID20973673
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC NameN-butyl-N-methyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESCCCCN(C)C(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C22H28N2O3S/c1-3-4-15-23(2)22(25)20-9-7-18(8-10-20)19-11-13-21(14-12-19)28(26,27)24-16-5-6-17-24/h7-14H,3-6,15-17H2,1-2H3
InChIKeyIENYHLYBHDJGGJ-UHFFFAOYSA-N
XLogP4.01
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[butyl(methyl)amino]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 112995368
N-methyl-N-(3-phenoxypropyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 38580276
N-butyl-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-methylbenzamide
CID 51222796
4-[butyl(methyl)carbamoyl]benzenesulfonyl chloride
CID 18071644
4-(azepan-1-ylsulfonyl)-N-methyl-N-(2-phenoxyethyl)benzamide
CID 8960788
N-butyl-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methylbenzamide
CID 17470307
N-butyl-4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzamide
CID 109061427
N-butyl-4-[butyl(methyl)sulfamoyl]-N-methylbenzamide
CID 109061421
N-[2-(2-chlorophenoxy)ethyl]-N-methyl-4-piperidin-1-ylsulfonylbenzamide
CID 24551180
4-[butyl(methyl)carbamoyl]benzoic acid
CID 43452774
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 26960301
4-(azepan-1-ylsulfonyl)-N-hexylbenzamide
CID 8886320

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of N-butyl-N-methyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide (CID 20973673) is N-butyl-N-methyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for N-butyl-N-methyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for N-butyl-N-methyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide is CCCCN(C)C(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1.
What is the InChIKey of N-butyl-N-methyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is IENYHLYBHDJGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-3-4-15-23(2)22(25)20-9-7-18(8-10-20)19-11-13-21(14-12-19)28(26,27)24-16-5-6-17-24/h7-14H,3-6,15-17H2,1-2H3.
What are the key properties of N-butyl-N-methyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
N-butyl-N-methyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 400.54 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 20973673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).