N-(2-methoxyphenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide

C16H18N2O4S2 — CID 110341707

IUPACN-(2-methoxyphenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C16H18N2O4S2/c1-22-14-8-3-2-6-12(14)17-16(19)13-7-4-10-18(13)24(20,21)15-9-5-11-23-15/h2-3,5-6,8-9,11,13H,4,7,10H2,1H3,(H,17,19)
InChIKeyNADMGBFOWICKQV-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.55
Rot. Bonds5

About N-(2-methoxyphenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide

N-(2-methoxyphenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide (PubChem CID 110341707) has the molecular formula C16H18N2O4S2 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
PubChem CID110341707
Molecular FormulaC16H18N2O4S2
Molecular Weight366.46 g/mol
Exact Mass366.07
IUPAC NameN-(2-methoxyphenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C16H18N2O4S2/c1-22-14-8-3-2-6-12(14)17-16(19)13-7-4-10-18(13)24(20,21)15-9-5-11-23-15/h2-3,5-6,8-9,11,13H,4,7,10H2,1H3,(H,17,19)
InChIKeyNADMGBFOWICKQV-UHFFFAOYSA-N
XLogP2.55
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(2-methoxy-5-nitrophenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 41397946
N-(2-methoxyphenyl)-2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide
CID 30574540
(2S)-N-(4-fluorophenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7614841
N-(3,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 110341686
(2R)-N-pyridin-2-yl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 94799494
N-(2,4-difluorophenyl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
CID 16826422
(2R)-N-(4-chlorophenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7614814
(2R)-N-[2-(1H-benzimidazol-2-yl)phenyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 41397880
(2R)-N-[3-(methylcarbamoyl)thiophen-2-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7614856
(2S)-N-(1,2-dihydroacenaphthylen-5-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7614835
N-cyclohexyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 110285845
N-[4-(cyclopentylmethylamino)phenyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 56555653

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide (CID 110341707) is N-(2-methoxyphenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide is COc1ccccc1NC(=O)C1CCCN1S(=O)(=O)c1cccs1.
What is the InChIKey of N-(2-methoxyphenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is NADMGBFOWICKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S2/c1-22-14-8-3-2-6-12(14)17-16(19)13-7-4-10-18(13)24(20,21)15-9-5-11-23-15/h2-3,5-6,8-9,11,13H,4,7,10H2,1H3,(H,17,19).
What are the key properties of N-(2-methoxyphenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
N-(2-methoxyphenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 2.55, 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-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 110341707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).