5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-3-carboxamide

C16H18N2O3S2 — CID 1245786

IUPAC5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cs1
InChIInChI=1S/C16H18N2O3S2/c1-12-10-13(11-22-12)16(19)17-14-4-6-15(7-5-14)23(20,21)18-8-2-3-9-18/h4-7,10-11H,2-3,8-9H2,1H3,(H,17,19)
InChIKeyZJESMJQCCYURII-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.09
Rot. Bonds4

About 5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-3-carboxamide

5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-3-carboxamide (PubChem CID 1245786) has the molecular formula C16H18N2O3S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-3-carboxamide
PubChem CID1245786
Molecular FormulaC16H18N2O3S2
Molecular Weight350.47 g/mol
Exact Mass350.08
IUPAC Name5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cs1
InChIInChI=1S/C16H18N2O3S2/c1-12-10-13(11-22-12)16(19)17-14-4-6-15(7-5-14)23(20,21)18-8-2-3-9-18/h4-7,10-11H,2-3,8-9H2,1H3,(H,17,19)
InChIKeyZJESMJQCCYURII-UHFFFAOYSA-N
XLogP3.09
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-sulfamoylphenyl)-2-(thiophen-2-yl)acetamide
CID 670143
N-(4-sulfamoylphenyl)thiophene-2-carboxamide
CID 687455
4-[[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]amino]benzenesulfonamide
CID 2258220
5-methyl-N-[4-(methylsulfamoyl)phenyl]thiophene-3-carboxamide
CID 1247495
N-[4-(butylsulfamoyl)phenyl]thiophene-2-carboxamide
CID 2188561
2-methylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 2461859
N-[5-(dimethylsulfamoyl)-2-methylphenyl]thiophene-2-carboxamide
CID 2811895
N-[3-(dimethylsulfamoyl)phenyl]-2-thiophen-3-ylacetamide
CID 4805705
N-[4-[methyl-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]sulfamoyl]phenyl]acetamide
CID 4845797
4-[ethyl(phenyl)sulfamoyl]-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 4963703
4-{[Methyl(3-methylphenyl)amino]sulfonyl}thiophene-2-carboxamide
CID 6486034
3-methyl-N-[2-(pyrrolidin-1-yl)phenyl]thiophene-2-carboxamide
CID 24983095

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-3-carboxamide?
The IUPAC name of 5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-3-carboxamide (CID 1245786) is 5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-3-carboxamide?
The canonical SMILES for 5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-3-carboxamide is Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cs1.
What is the InChIKey of 5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-3-carboxamide?
The InChIKey is ZJESMJQCCYURII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S2/c1-12-10-13(11-22-12)16(19)17-14-4-6-15(7-5-14)23(20,21)18-8-2-3-9-18/h4-7,10-11H,2-3,8-9H2,1H3,(H,17,19).
What are the key properties of 5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-3-carboxamide?
5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-3-carboxamide has a molecular weight of 350.47 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-3-carboxamide is sourced from PubChem (CID 1245786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).