N-[2-methyl-3-(methylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide

C20H23N3O3S — CID 86983132

IUPACN-[2-methyl-3-(methylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)C2CCCCN2C(=O)c2cccs2)c1C
InChIInChI=1S/C20H23N3O3S/c1-13-14(18(24)21-2)7-5-8-15(13)22-19(25)16-9-3-4-11-23(16)20(26)17-10-6-12-27-17/h5-8,10,12,16H,3-4,9,11H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyXEJRSPREBQAIBZ-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.05
Rot. Bonds4

About N-[2-methyl-3-(methylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide

N-[2-methyl-3-(methylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide (PubChem CID 86983132) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-[2-methyl-3-(methylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-3-(methylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
PubChem CID86983132
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC NameN-[2-methyl-3-(methylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)C2CCCCN2C(=O)c2cccs2)c1C
InChIInChI=1S/C20H23N3O3S/c1-13-14(18(24)21-2)7-5-8-15(13)22-19(25)16-9-3-4-11-23(16)20(26)17-10-6-12-27-17/h5-8,10,12,16H,3-4,9,11H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyXEJRSPREBQAIBZ-UHFFFAOYSA-N
XLogP3.05
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methyl-3-(methylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 46461736
(2R)-N-(3-fluoro-2-methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 126004910
N-[4-(methylcarbamoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 86922399
N-[3-(methylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 112767377
N-(4-acetamidophenyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 18225954
N-(1,2-dihydroacenaphthylen-5-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78844975
(2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 2559010
N-(4-fluoro-2-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 86927366
N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78885459
N-[4-(propanoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78887255
N-(4-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78844859
N-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 154736095

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(methylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The IUPAC name of N-[2-methyl-3-(methylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide (CID 86983132) is N-[2-methyl-3-(methylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for N-[2-methyl-3-(methylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for N-[2-methyl-3-(methylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide is CNC(=O)c1cccc(NC(=O)C2CCCCN2C(=O)c2cccs2)c1C.
What is the InChIKey of N-[2-methyl-3-(methylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The InChIKey is XEJRSPREBQAIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-13-14(18(24)21-2)7-5-8-15(13)22-19(25)16-9-3-4-11-23(16)20(26)17-10-6-12-27-17/h5-8,10,12,16H,3-4,9,11H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-[2-methyl-3-(methylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
N-[2-methyl-3-(methylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide has a molecular weight of 385.49 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(methylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 86983132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).