N-(2-methoxyphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide

C17H21N3O4S — CID 17398405

IUPACN-(2-methoxyphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCC2)cn1C
InChIInChI=1S/C17H21N3O4S/c1-19-12-13(25(22,23)20-9-5-6-10-20)11-15(19)17(21)18-14-7-3-4-8-16(14)24-2/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3,(H,18,21)
InChIKeyQNZZSLCWLSTLLZ-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.07
Rot. Bonds5

About N-(2-methoxyphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide

N-(2-methoxyphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide (PubChem CID 17398405) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
PubChem CID17398405
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC NameN-(2-methoxyphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCC2)cn1C
InChIInChI=1S/C17H21N3O4S/c1-19-12-13(25(22,23)20-9-5-6-10-20)11-15(19)17(21)18-14-7-3-4-8-16(14)24-2/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3,(H,18,21)
InChIKeyQNZZSLCWLSTLLZ-UHFFFAOYSA-N
XLogP2.07
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(2-Methoxyphenyl)-1-piperazinyl]ethyl]-1H-pyrrole-2-carboxamide
CID 10087901
[2-(4-Methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 4253900
1H-Pyrrole-2-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide
CID 9928647
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylpyrrole-2-carboxamide
CID 10315346
1H-Pyrrole-2-carboxylic acid {3-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propyl}-amide
CID 10405125
[4-(4-Ethoxyphenyl)sulfonylpiperazin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 2496383
N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-2-carboxamide
CID 3360888
N-(3-Chloro-4-methoxyphenyl)-1-methyl-4-(morpholine-4-sulfonyl)-1H-pyrrole-2-carboxamide
CID 16017853
4-(2,3-Dihydro-1H-indole-1-sulfonyl)-N-(2,4-dimethoxyphenyl)-N,1-dimethyl-1H-pyrrole-2-carboxamide
CID 16017913
N-(4-Ethoxyphenyl)-4-(piperidine-1-sulfonyl)-1H-pyrrole-2-carboxamide
CID 16018604
N-Ethyl-N-(4-methoxyphenyl)-4-(piperidine-1-sulfonyl)-1H-pyrrole-2-carboxamide
CID 16018698
1-(2-Methoxyphenyl)-4-{1-methyl-4-[(4-methylpiperidin-1-YL)sulfonyl]-1H-pyrrole-2-carbonyl}piperazine
CID 16028970

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide (CID 17398405) is N-(2-methoxyphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide is COc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCC2)cn1C.
What is the InChIKey of N-(2-methoxyphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The InChIKey is QNZZSLCWLSTLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-19-12-13(25(22,23)20-9-5-6-10-20)11-15(19)17(21)18-14-7-3-4-8-16(14)24-2/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3,(H,18,21).
What are the key properties of N-(2-methoxyphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
N-(2-methoxyphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide is sourced from PubChem (CID 17398405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).