N-benzyl-N-propan-2-yl-4-pyrrolidin-1-ylsulfonylbenzamide

C21H26N2O3S — CID 51180384

IUPACN-benzyl-N-propan-2-yl-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C21H26N2O3S/c1-17(2)23(16-18-8-4-3-5-9-18)21(24)19-10-12-20(13-11-19)27(25,26)22-14-6-7-15-22/h3-5,8-13,17H,6-7,14-16H2,1-2H3
InChIKeyKZOHZIFHQPDTMD-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.52
Rot. Bonds6

About N-benzyl-N-propan-2-yl-4-pyrrolidin-1-ylsulfonylbenzamide

N-benzyl-N-propan-2-yl-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 51180384) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-benzyl-N-propan-2-yl-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-benzyl-N-propan-2-yl-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID51180384
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-benzyl-N-propan-2-yl-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C21H26N2O3S/c1-17(2)23(16-18-8-4-3-5-9-18)21(24)19-10-12-20(13-11-19)27(25,26)22-14-6-7-15-22/h3-5,8-13,17H,6-7,14-16H2,1-2H3
InChIKeyKZOHZIFHQPDTMD-UHFFFAOYSA-N
XLogP3.52
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-ethyl-4-piperidin-1-ylsulfonylbenzamide
CID 9098546
2-[benzyl(methyl)amino]-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
CID 110824116
[2-(dibenzylamino)-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate
CID 23880152
N-benzyl-4-(4-methylpiperazine-1-carbonyl)-N-propan-2-ylbenzamide
CID 109046122
N-benzyl-4-(methylsulfonylmethyl)-N-propan-2-ylbenzamide
CID 30099628
N-benzyl-N-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109249433
N-benzyl-N-methyl-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 51147794
N-benzyl-N-ethyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 9098528
N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 8794925
4-N-benzyl-1-N-methyl-1-N-phenyl-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109048603
N-[(2S)-2-phenylpropyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9302382
N-(2-phenylethyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 20973683

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-propan-2-yl-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-benzyl-N-propan-2-yl-4-pyrrolidin-1-ylsulfonylbenzamide (CID 51180384) is N-benzyl-N-propan-2-yl-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-benzyl-N-propan-2-yl-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-benzyl-N-propan-2-yl-4-pyrrolidin-1-ylsulfonylbenzamide is CC(C)N(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-benzyl-N-propan-2-yl-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is KZOHZIFHQPDTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-17(2)23(16-18-8-4-3-5-9-18)21(24)19-10-12-20(13-11-19)27(25,26)22-14-6-7-15-22/h3-5,8-13,17H,6-7,14-16H2,1-2H3.
What are the key properties of N-benzyl-N-propan-2-yl-4-pyrrolidin-1-ylsulfonylbenzamide?
N-benzyl-N-propan-2-yl-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 386.52 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-propan-2-yl-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 51180384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).