4-methoxy-N-(2-methylpentan-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide

C18H28N2O4S — CID 49366498

IUPAC4-methoxy-N-(2-methylpentan-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCCCC(C)(C)NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C18H28N2O4S/c1-5-10-18(2,3)19-17(21)14-8-9-15(24-4)16(13-14)25(22,23)20-11-6-7-12-20/h8-9,13H,5-7,10-12H2,1-4H3,(H,19,21)
InChIKeyGLIQGUKHCSNSTR-UHFFFAOYSA-N
MW368.50 g/mol
LogP2.79
Rot. Bonds7

About 4-methoxy-N-(2-methylpentan-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide

4-methoxy-N-(2-methylpentan-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 49366498) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is 4-methoxy-N-(2-methylpentan-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-methoxy-N-(2-methylpentan-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID49366498
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC Name4-methoxy-N-(2-methylpentan-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCCCC(C)(C)NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C18H28N2O4S/c1-5-10-18(2,3)19-17(21)14-8-9-15(24-4)16(13-14)25(22,23)20-11-6-7-12-20/h8-9,13H,5-7,10-12H2,1-4H3,(H,19,21)
InChIKeyGLIQGUKHCSNSTR-UHFFFAOYSA-N
XLogP2.79
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(azepan-1-ylsulfonyl)-4-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 26880737
N-(1-amino-2-methylpropan-2-yl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 119523306
N-(1-amino-2-methylpropan-2-yl)-3-(azepan-1-ylsulfonyl)-4-methoxybenzamide
CID 119522835
4-methoxy-N-pentyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 40742279
N,4-dimethoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 27745107
N-(1-amino-2,3-dimethylbutan-2-yl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 119607326
3-(azepan-1-ylsulfonyl)-N,4-dimethoxybenzamide
CID 33100558
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate
CID 55400002
3-(azepan-1-ylsulfonyl)-N-[2-(ethylamino)-2-oxoethyl]-4-methoxybenzamide
CID 18145727
4-methoxy-N'-(4-methylbenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 2552270
1-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 39382905
3-(azepan-1-ylsulfonyl)-N-(4-ethylcyclohexyl)-4-methoxybenzamide
CID 112816421

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-methylpentan-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of 4-methoxy-N-(2-methylpentan-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide (CID 49366498) is 4-methoxy-N-(2-methylpentan-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 4-methoxy-N-(2-methylpentan-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for 4-methoxy-N-(2-methylpentan-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide is CCCC(C)(C)NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 4-methoxy-N-(2-methylpentan-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is GLIQGUKHCSNSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-5-10-18(2,3)19-17(21)14-8-9-15(24-4)16(13-14)25(22,23)20-11-6-7-12-20/h8-9,13H,5-7,10-12H2,1-4H3,(H,19,21).
What are the key properties of 4-methoxy-N-(2-methylpentan-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide?
4-methoxy-N-(2-methylpentan-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 368.50 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-methylpentan-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 49366498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).