N-[2-(4-methylphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

C19H24N2O3S2 — CID 4089362

IUPACN-[2-(4-methylphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCc1ccc(CCNC(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)cc1
InChIInChI=1S/C19H24N2O3S2/c1-15-6-8-16(9-7-15)10-11-20-19(22)17-4-2-12-21(14-17)26(23,24)18-5-3-13-25-18/h3,5-9,13,17H,2,4,10-12,14H2,1H3,(H,20,22)
InChIKeyLHHGDVANXLICJB-UHFFFAOYSA-N
MW392.55 g/mol
LogP2.82
Rot. Bonds6

About N-[2-(4-methylphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

N-[2-(4-methylphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 4089362) has the molecular formula C19H24N2O3S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID4089362
Molecular FormulaC19H24N2O3S2
Molecular Weight392.55 g/mol
Exact Mass392.12
IUPAC NameN-[2-(4-methylphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCc1ccc(CCNC(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)cc1
InChIInChI=1S/C19H24N2O3S2/c1-15-6-8-16(9-7-15)10-11-20-19(22)17-4-2-12-21(14-17)26(23,24)18-5-3-13-25-18/h3,5-9,13,17H,2,4,10-12,14H2,1H3,(H,20,22)
InChIKeyLHHGDVANXLICJB-UHFFFAOYSA-N
XLogP2.82
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-(4-(aminosulfonyl)phenyl)ethyl)-2-(2-thienyl)acetamide
CID 670786
N-[2-(4-chlorophenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2078307
N-[(4-methylphenyl)methyl]-4-[(thiophene-2-sulfonamido)methyl]cyclohexane-1-carboxamide
CID 5322912
N-benzyl-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 5322919
N-[2-(2-chlorophenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 9551080
N-(2-phenylethyl)-4-{[(thien-2-ylsulfonyl)amino]methyl}cyclohexanecarboxamide
CID 15997729
N-(2-phenylethyl)-4-[(thien-2-ylsulfonyl)amino]butanamide
CID 16194039
N-(2-phenylethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 5308267
3-[(4-methylbenzyl)sulfonyl]-N-(thien-2-ylmethyl)propanamide
CID 3241727
1-ethylsulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 4055939
3-phenyl-N-(4-phenylbutan-2-yl)-2-(thiophen-2-ylsulfonylamino)propanamide
CID 4084131
4-({[(4-methylphenyl)sulfonyl]amino}methyl)-N-(thien-2-ylmethyl)cyclohexanecarboxamide
CID 5096183

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[2-(4-methylphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (CID 4089362) is N-[2-(4-methylphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-methylphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[2-(4-methylphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is Cc1ccc(CCNC(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is LHHGDVANXLICJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S2/c1-15-6-8-16(9-7-15)10-11-20-19(22)17-4-2-12-21(14-17)26(23,24)18-5-3-13-25-18/h3,5-9,13,17H,2,4,10-12,14H2,1H3,(H,20,22).
What are the key properties of N-[2-(4-methylphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
N-[2-(4-methylphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 392.55 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 4089362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).