N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide

C22H27N3O3S — CID 78885459

IUPACN-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
SMILESCc1ccc(NC(=O)C(C)C)cc1NC(=O)C1CCCCN1C(=O)c1cccs1
InChIInChI=1S/C22H27N3O3S/c1-14(2)20(26)23-16-10-9-15(3)17(13-16)24-21(27)18-7-4-5-11-25(18)22(28)19-8-6-12-29-19/h6,8-10,12-14,18H,4-5,7,11H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyHXMLOHZIEDSXSY-UHFFFAOYSA-N
MW413.54 g/mol
LogP4.28
Rot. Bonds5

About N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide

N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide (PubChem CID 78885459) has the molecular formula C22H27N3O3S and a molecular weight of 413.54 g/mol. Its IUPAC name is N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
PubChem CID78885459
Molecular FormulaC22H27N3O3S
Molecular Weight413.54 g/mol
Exact Mass413.18
IUPAC NameN-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
SMILESCc1ccc(NC(=O)C(C)C)cc1NC(=O)C1CCCCN1C(=O)c1cccs1
InChIInChI=1S/C22H27N3O3S/c1-14(2)20(26)23-16-10-9-15(3)17(13-16)24-21(27)18-7-4-5-11-25(18)22(28)19-8-6-12-29-19/h6,8-10,12-14,18H,4-5,7,11H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyHXMLOHZIEDSXSY-UHFFFAOYSA-N
XLogP4.28
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(3,4-dimethylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 1203465
N-(3-fluoro-4-methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 51159772
N-(4-acetamidophenyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 18225954
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 24675292
N-[4-(methylcarbamoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 86922399
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
(2R)-N-[4-(phenylcarbamoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 32953422
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 42941692
N-(2-methyl-1,3-benzothiazol-6-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 4786603
N-(2,3-dihydro-1H-inden-5-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 42908057
2-[[1-(thiophene-2-carbonyl)piperidine-2-carbonyl]amino]propanoic acid
CID 119348963

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The IUPAC name of N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide (CID 78885459) is N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide is Cc1ccc(NC(=O)C(C)C)cc1NC(=O)C1CCCCN1C(=O)c1cccs1.
What is the InChIKey of N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The InChIKey is HXMLOHZIEDSXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3S/c1-14(2)20(26)23-16-10-9-15(3)17(13-16)24-21(27)18-7-4-5-11-25(18)22(28)19-8-6-12-29-19/h6,8-10,12-14,18H,4-5,7,11H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide has a molecular weight of 413.54 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 78885459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).