2-methoxy-N-propyl-5-pyrrolidin-1-ylsulfonylbenzamide

C15H22N2O4S — CID 27244612

IUPAC2-methoxy-N-propyl-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESCCCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OC
InChIInChI=1S/C15H22N2O4S/c1-3-8-16-15(18)13-11-12(6-7-14(13)21-2)22(19,20)17-9-4-5-10-17/h6-7,11H,3-5,8-10H2,1-2H3,(H,16,18)
InChIKeyPVMWZMHZBWOCGX-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.62
Rot. Bonds6

About 2-methoxy-N-propyl-5-pyrrolidin-1-ylsulfonylbenzamide

2-methoxy-N-propyl-5-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 27244612) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-methoxy-N-propyl-5-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-methoxy-N-propyl-5-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID27244612
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name2-methoxy-N-propyl-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESCCCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OC
InChIInChI=1S/C15H22N2O4S/c1-3-8-16-15(18)13-11-12(6-7-14(13)21-2)22(19,20)17-9-4-5-10-17/h6-7,11H,3-5,8-10H2,1-2H3,(H,16,18)
InChIKeyPVMWZMHZBWOCGX-UHFFFAOYSA-N
XLogP1.62
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-5-[(3S)-3-methylpiperidin-1-yl]sulfonyl-N-propylbenzamide
CID 27260668
5-(azepan-1-ylsulfonyl)-2-methoxy-N-[3-(methylamino)propyl]benzamide
CID 119430959
5-(azepan-1-ylsulfonyl)-N-(3-ethoxypropyl)-2-methoxybenzamide
CID 18108936
5-(azepan-1-ylsulfonyl)-2-methoxy-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119430958
5-(azepan-1-ylsulfonyl)-2-methoxy-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 55407925
5-(azepan-1-ylsulfonyl)-2-chloro-N-propylbenzamide
CID 28590823
2-methoxy-N-(2-phenylsulfanylethyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 28590879
2-methoxy-N-[(2-methylphenyl)methyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 28590884
2-methoxy-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-5-piperidin-1-ylsulfonylbenzamide
CID 28590998
N-[2-(ethylamino)ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 119505913
5-(azepan-1-ylsulfonyl)-2-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 28591138
N-cyclooctyl-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide
CID 28590964

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-propyl-5-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-methoxy-N-propyl-5-pyrrolidin-1-ylsulfonylbenzamide (CID 27244612) is 2-methoxy-N-propyl-5-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-methoxy-N-propyl-5-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-methoxy-N-propyl-5-pyrrolidin-1-ylsulfonylbenzamide is CCCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OC.
What is the InChIKey of 2-methoxy-N-propyl-5-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is PVMWZMHZBWOCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-3-8-16-15(18)13-11-12(6-7-14(13)21-2)22(19,20)17-9-4-5-10-17/h6-7,11H,3-5,8-10H2,1-2H3,(H,16,18).
What are the key properties of 2-methoxy-N-propyl-5-pyrrolidin-1-ylsulfonylbenzamide?
2-methoxy-N-propyl-5-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 326.42 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-propyl-5-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 27244612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).