N-(2,4-dimethylphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide

C18H22N2O3S2 — CID 6503249

IUPACN-(2,4-dimethylphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)cs2)c(C)c1
InChIInChI=1S/C18H22N2O3S2/c1-13-6-7-16(14(2)10-13)19-18(21)17-11-15(12-24-17)25(22,23)20-8-4-3-5-9-20/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,19,21)
InChIKeyNCMGKFSPZCDXPN-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.79
Rot. Bonds4

About N-(2,4-dimethylphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide

N-(2,4-dimethylphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide (PubChem CID 6503249) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide
PubChem CID6503249
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC NameN-(2,4-dimethylphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)cs2)c(C)c1
InChIInChI=1S/C18H22N2O3S2/c1-13-6-7-16(14(2)10-13)19-18(21)17-11-15(12-24-17)25(22,23)20-8-4-3-5-9-20/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,19,21)
InChIKeyNCMGKFSPZCDXPN-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(azepan-1-ylsulfonyl)-N-(2,4-dimethylphenyl)-2-methylbenzamide
CID 53281830
N-(2,4-dimethylphenyl)-5-methyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 6502748
4-(azepan-1-ylsulfonyl)-N-methylthiophene-2-carboxamide
CID 6503439
N-(2,4-dimethylphenyl)-4-(dimethylsulfamoyl)thiophene-2-carboxamide
CID 6503076
N-(2-hydroxy-5-methylphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 6503499
2-[(4-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)amino]benzoic acid
CID 6503300
N-(4-hydroxyphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 6503247
N-(2,4-dimethylphenyl)-2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzamide
CID 43853676
4-piperidin-1-ylsulfonyl-N-propan-2-ylthiophene-2-carboxamide
CID 6503269
N-(2-methylphenyl)-4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide
CID 6503536
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 6503288
N-(4-chlorophenyl)-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 6503298

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide (CID 6503249) is N-(2,4-dimethylphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide is Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)cs2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide?
The InChIKey is NCMGKFSPZCDXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c1-13-6-7-16(14(2)10-13)19-18(21)17-11-15(12-24-17)25(22,23)20-8-4-3-5-9-20/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,19,21).
What are the key properties of N-(2,4-dimethylphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide?
N-(2,4-dimethylphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 6503249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).