N-(3,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide

C17H20N2O3S2 — CID 110341686

IUPACN-(3,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN2S(=O)(=O)c2cccs2)cc1C
InChIInChI=1S/C17H20N2O3S2/c1-12-7-8-14(11-13(12)2)18-17(20)15-5-3-9-19(15)24(21,22)16-6-4-10-23-16/h4,6-8,10-11,15H,3,5,9H2,1-2H3,(H,18,20)
InChIKeyQGIQZRSRLWLQAQ-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.16
Rot. Bonds4

About N-(3,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide

N-(3,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide (PubChem CID 110341686) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
PubChem CID110341686
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC NameN-(3,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN2S(=O)(=O)c2cccs2)cc1C
InChIInChI=1S/C17H20N2O3S2/c1-12-7-8-14(11-13(12)2)18-17(20)15-5-3-9-19(15)24(21,22)16-6-4-10-23-16/h4,6-8,10-11,15H,3,5,9H2,1-2H3,(H,18,20)
InChIKeyQGIQZRSRLWLQAQ-UHFFFAOYSA-N
XLogP3.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(4-fluorophenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7614841
(2R)-N-(4-chlorophenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7614814
(2R)-N-(1-benzothiophen-5-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7614806
N-(2-methyl-1,3-dioxoisoindol-5-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 16830717
(2R)-N-(2-methyl-1,3-benzoxazol-6-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 99702000
(2S)-N-(4-methylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
CID 27452267
(2S)-N-(3,4-dimethylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 1203465
N-[4-(cyclopentylmethylamino)phenyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 56555653
N-(1,3-dioxoisoindol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
CID 16826406
N-(2-methoxyphenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 110341707
N-(2-methyl-6-propan-2-ylphenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 110341696
(2S)-1-(4-chlorophenyl)sulfonyl-N-(3,4-dimethylphenyl)pyrrolidine-2-carboxamide
CID 8795044

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide (CID 110341686) is N-(3,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide is Cc1ccc(NC(=O)C2CCCN2S(=O)(=O)c2cccs2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is QGIQZRSRLWLQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c1-12-7-8-14(11-13(12)2)18-17(20)15-5-3-9-19(15)24(21,22)16-6-4-10-23-16/h4,6-8,10-11,15H,3,5,9H2,1-2H3,(H,18,20).
What are the key properties of N-(3,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide?
N-(3,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 110341686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).