N-(6-methoxy-3-pyridinyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide

C18H21N3O4S — CID 9107099

IUPACN-(6-methoxy-3-pyridinyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)cn1
InChIInChI=1S/C18H21N3O4S/c1-13-5-7-15(26(23,24)21-9-3-4-10-21)11-16(13)18(22)20-14-6-8-17(25-2)19-12-14/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,20,22)
InChIKeyCZNLVJYVFFNMDV-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.44
Rot. Bonds5

About N-(6-methoxy-3-pyridinyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide

N-(6-methoxy-3-pyridinyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 9107099) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID9107099
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC NameN-(6-methoxy-3-pyridinyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)cn1
InChIInChI=1S/C18H21N3O4S/c1-13-5-7-15(26(23,24)21-9-3-4-10-21)11-16(13)18(22)20-14-6-8-17(25-2)19-12-14/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,20,22)
InChIKeyCZNLVJYVFFNMDV-UHFFFAOYSA-N
XLogP2.44
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(6-methoxy-3-pyridinyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-pyridinyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(6-methoxy-3-pyridinyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide (CID 9107099) is N-(6-methoxy-3-pyridinyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide is COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)cn1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is CZNLVJYVFFNMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-13-5-7-15(26(23,24)21-9-3-4-10-21)11-16(13)18(22)20-14-6-8-17(25-2)19-12-14/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,20,22).
What are the key properties of N-(6-methoxy-3-pyridinyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide?
N-(6-methoxy-3-pyridinyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 375.45 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-pyridinyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 9107099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).