3-methoxy-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide

C14H20N2O4S — CID 7601055

IUPAC3-methoxy-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide
SMILESCOc1cccc(C(=O)NCCS(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C14H20N2O4S/c1-20-13-6-4-5-12(11-13)14(17)15-7-10-21(18,19)16-8-2-3-9-16/h4-6,11H,2-3,7-10H2,1H3,(H,15,17)
InChIKeyOKXXTARBCWOCAM-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.85
Rot. Bonds6

About 3-methoxy-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide

3-methoxy-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide (PubChem CID 7601055) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 3-methoxy-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide.

Molecular Properties

Compound Name3-methoxy-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide
PubChem CID7601055
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name3-methoxy-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide
SMILESCOc1cccc(C(=O)NCCS(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C14H20N2O4S/c1-20-13-6-4-5-12(11-13)14(17)15-7-10-21(18,19)16-8-2-3-9-16/h4-6,11H,2-3,7-10H2,1H3,(H,15,17)
InChIKeyOKXXTARBCWOCAM-UHFFFAOYSA-N
XLogP0.85
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 531836
CID 531836
CID 1445157
CID 1445157
CID 24818176
CID 24818176
CID 719650
CID 719650
CID 814251
CID 814251
CID 841008
CID 841008
CID 18118654
CID 18118654
CID 130431443
CID 130431443
CID 820515
CID 820515
CID 786913
CID 786913
CID 717183
CID 717183
CID 2570007
CID 2570007

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide?
The IUPAC name of 3-methoxy-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide (CID 7601055) is 3-methoxy-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide.
What is the SMILES notation for 3-methoxy-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide?
The canonical SMILES for 3-methoxy-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide is COc1cccc(C(=O)NCCS(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 3-methoxy-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide?
The InChIKey is OKXXTARBCWOCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-20-13-6-4-5-12(11-13)14(17)15-7-10-21(18,19)16-8-2-3-9-16/h4-6,11H,2-3,7-10H2,1H3,(H,15,17).
What are the key properties of 3-methoxy-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide?
3-methoxy-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide has a molecular weight of 312.39 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide is sourced from PubChem (CID 7601055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).