N-(3,4-dimethylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide

C17H20N2O3S2 — CID 53066366

IUPACN-(3,4-dimethylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)s2)cc1C
InChIInChI=1S/C17H20N2O3S2/c1-12-5-6-14(11-13(12)2)18-17(20)15-7-8-16(23-15)24(21,22)19-9-3-4-10-19/h5-8,11H,3-4,9-10H2,1-2H3,(H,18,20)
InChIKeyMFNXSLMLFMIUGU-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.40
Rot. Bonds4

About N-(3,4-dimethylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide

N-(3,4-dimethylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide (PubChem CID 53066366) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
PubChem CID53066366
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC NameN-(3,4-dimethylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)s2)cc1C
InChIInChI=1S/C17H20N2O3S2/c1-12-5-6-14(11-13(12)2)18-17(20)15-7-8-16(23-15)24(21,22)19-9-3-4-10-19/h5-8,11H,3-4,9-10H2,1-2H3,(H,18,20)
InChIKeyMFNXSLMLFMIUGU-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-5-methyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 6502749
N-(4-ethylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 53066354
4-(azepan-1-ylsulfonyl)-N-(3,4-dimethylphenyl)benzamide
CID 2600312
N-(2-ethyl-6-methylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 53066371
5-pyrrolidin-1-ylsulfonylthiophene-2-carboxylic acid
CID 61027232
N-(2-ethylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 53066353
1-(3,4-dimethylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea
CID 19680462
5-acetyl-N-[3-(azepan-1-ylsulfonyl)phenyl]thiophene-2-carboxamide
CID 36843795
N-(5-amino-2-methylphenyl)-5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide;hydrochloride
CID 120568556
(E)-3-(2,5-dimethylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid
CID 2381273
3,5-dimethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 24635475
N-(3-fluoro-4-methylphenyl)-5-(4-methylphenyl)sulfonylthiophene-2-carboxamide
CID 53124593

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide (CID 53066366) is N-(3,4-dimethylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide is Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)s2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The InChIKey is MFNXSLMLFMIUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c1-12-5-6-14(11-13(12)2)18-17(20)15-7-8-16(23-15)24(21,22)19-9-3-4-10-19/h5-8,11H,3-4,9-10H2,1-2H3,(H,18,20).
What are the key properties of N-(3,4-dimethylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
N-(3,4-dimethylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 3.40, 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)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 53066366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).