N-(2-methylphenyl)-4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide

C18H22N2O3S2 — CID 6503536

IUPACN-(2-methylphenyl)-4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide
SMILESCc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCC(C)C2)cs1
InChIInChI=1S/C18H22N2O3S2/c1-13-6-5-9-20(11-13)25(22,23)15-10-17(24-12-15)18(21)19-16-8-4-3-7-14(16)2/h3-4,7-8,10,12-13H,5-6,9,11H2,1-2H3,(H,19,21)
InChIKeyKNJMYHAICBFXDL-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.73
Rot. Bonds4

About N-(2-methylphenyl)-4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide

N-(2-methylphenyl)-4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide (PubChem CID 6503536) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-(2-methylphenyl)-4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide
PubChem CID6503536
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC NameN-(2-methylphenyl)-4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide
SMILESCc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCC(C)C2)cs1
InChIInChI=1S/C18H22N2O3S2/c1-13-6-5-9-20(11-13)25(22,23)15-10-17(24-12-15)18(21)19-16-8-4-3-7-14(16)2/h3-4,7-8,10,12-13H,5-6,9,11H2,1-2H3,(H,19,21)
InChIKeyKNJMYHAICBFXDL-UHFFFAOYSA-N
XLogP3.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carbonyl]amino]benzoic acid
CID 6503539
N-(5-chloro-2-hydroxyphenyl)-4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide
CID 6503563
N-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide
CID 6503538
4-(cyclopentylsulfamoyl)-N-(2-methylphenyl)thiophene-2-carboxamide
CID 6504119
4-fluoro-N-(2-methylphenyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 3275798
N-(2,4-dimethylphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 6503249
2-[(4-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)amino]benzoic acid
CID 6503300
N-(2-methylphenyl)-4-(propan-2-ylsulfamoyl)thiophene-2-carboxamide
CID 6504111
4-(dimethylsulfamoyl)-N-(2-methylphenyl)thiophene-2-carboxamide
CID 6503064
2-[3,3-dimethyl-5-(3-methylpiperidin-1-yl)sulfonyl-2-oxoindol-1-yl]-N-(2-methylphenyl)acetamide
CID 50767803
4-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylthiophene-2-carboxamide
CID 6503383
4-chloro-N-(2,3-dimethylphenyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 42992443

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide?
The IUPAC name of N-(2-methylphenyl)-4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide (CID 6503536) is N-(2-methylphenyl)-4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide is Cc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCC(C)C2)cs1.
What is the InChIKey of N-(2-methylphenyl)-4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide?
The InChIKey is KNJMYHAICBFXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c1-13-6-5-9-20(11-13)25(22,23)15-10-17(24-12-15)18(21)19-16-8-4-3-7-14(16)2/h3-4,7-8,10,12-13H,5-6,9,11H2,1-2H3,(H,19,21).
What are the key properties of N-(2-methylphenyl)-4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide?
N-(2-methylphenyl)-4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide is sourced from PubChem (CID 6503536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).