4-methoxy-N-(4-methyl-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide

C18H21N3O4S — CID 35028668

IUPAC4-methoxy-N-(4-methyl-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C)ccn2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C18H21N3O4S/c1-13-7-8-19-17(11-13)20-18(22)14-5-6-15(25-2)16(12-14)26(23,24)21-9-3-4-10-21/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,19,20,22)
InChIKeyNEOZWEQWJFEKCF-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.44
Rot. Bonds5

About 4-methoxy-N-(4-methyl-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide

4-methoxy-N-(4-methyl-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 35028668) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is 4-methoxy-N-(4-methyl-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-methoxy-N-(4-methyl-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID35028668
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name4-methoxy-N-(4-methyl-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C)ccn2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C18H21N3O4S/c1-13-7-8-19-17(11-13)20-18(22)14-5-6-15(25-2)16(12-14)26(23,24)21-9-3-4-10-21/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,19,20,22)
InChIKeyNEOZWEQWJFEKCF-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

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Related Compounds

4-(azepan-1-ylsulfonyl)-N-(4-methyl-2-pyridinyl)benzamide
CID 2147569
4-methoxy-N'-(4-methylbenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 2552270
4-methoxy-3-[methoxy(methyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide
CID 17443500
N,4-dimethoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 27745107
3,4-dimethoxy-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 26174301
N-(3-chloro-4-methylphenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2665878
3-(azepan-1-ylsulfonyl)-N,4-dimethoxybenzamide
CID 33100558
N-(4-iodophenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1310055
N-(4-acetylphenyl)-3-(azepan-1-ylsulfonyl)-4-methoxybenzamide
CID 17434438
dimethyl 5-[(4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzene-1,3-dicarboxylate
CID 45373598
3-(azepan-1-ylsulfonyl)-4-methoxy-N-(8-methylquinolin-5-yl)benzamide
CID 38277942
N-(2-methoxy-5-methylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 2684884

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(4-methyl-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of 4-methoxy-N-(4-methyl-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide (CID 35028668) is 4-methoxy-N-(4-methyl-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 4-methoxy-N-(4-methyl-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for 4-methoxy-N-(4-methyl-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide is COc1ccc(C(=O)Nc2cc(C)ccn2)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of 4-methoxy-N-(4-methyl-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is NEOZWEQWJFEKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-13-7-8-19-17(11-13)20-18(22)14-5-6-15(25-2)16(12-14)26(23,24)21-9-3-4-10-21/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,19,20,22).
What are the key properties of 4-methoxy-N-(4-methyl-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
4-methoxy-N-(4-methyl-2-pyridinyl)-3-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 4-methoxy-N-(4-methyl-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 35028668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).