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

C19H24N2O3S2 — CID 4290744

IUPACN-[2-(3-methylphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCc1cccc(CCNC(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)c1
InChIInChI=1S/C19H24N2O3S2/c1-15-5-2-6-16(13-15)9-10-20-19(22)17-7-3-11-21(14-17)26(23,24)18-8-4-12-25-18/h2,4-6,8,12-13,17H,3,7,9-11,14H2,1H3,(H,20,22)
InChIKeyMEMLXPMJHFNGAT-UHFFFAOYSA-N
MW392.55 g/mol
LogP2.82
Rot. Bonds6

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

N-[2-(3-methylphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 4290744) has the molecular formula C19H24N2O3S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is N-[2-(3-methylphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methylphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID4290744
Molecular FormulaC19H24N2O3S2
Molecular Weight392.55 g/mol
Exact Mass392.12
IUPAC NameN-[2-(3-methylphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCc1cccc(CCNC(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)c1
InChIInChI=1S/C19H24N2O3S2/c1-15-5-2-6-16(13-15)9-10-20-19(22)17-7-3-11-21(14-17)26(23,24)18-8-4-12-25-18/h2,4-6,8,12-13,17H,3,7,9-11,14H2,1H3,(H,20,22)
InChIKeyMEMLXPMJHFNGAT-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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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[2-(3-methylphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (CID 4290744) is N-[2-(3-methylphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(3-methylphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[2-(3-methylphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is Cc1cccc(CCNC(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)c1.
What is the InChIKey of N-[2-(3-methylphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is MEMLXPMJHFNGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S2/c1-15-5-2-6-16(13-15)9-10-20-19(22)17-7-3-11-21(14-17)26(23,24)18-8-4-12-25-18/h2,4-6,8,12-13,17H,3,7,9-11,14H2,1H3,(H,20,22).
What are the key properties of N-[2-(3-methylphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
N-[2-(3-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-(3-methylphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 4290744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).