N-[4-(methylcarbamoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide

C19H22N4O3S — CID 86922399

IUPACN-[4-(methylcarbamoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
SMILESCNC(=O)Nc1ccc(NC(=O)C2CCCCN2C(=O)c2cccs2)cc1
InChIInChI=1S/C19H22N4O3S/c1-20-19(26)22-14-9-7-13(8-10-14)21-17(24)15-5-2-3-11-23(15)18(25)16-6-4-12-27-16/h4,6-10,12,15H,2-3,5,11H2,1H3,(H,21,24)(H2,20,22,26)
InChIKeyNNFXHYSMSMRZQE-UHFFFAOYSA-N
MW386.48 g/mol
LogP3.13
Rot. Bonds4

About N-[4-(methylcarbamoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide

N-[4-(methylcarbamoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide (PubChem CID 86922399) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is N-[4-(methylcarbamoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(methylcarbamoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
PubChem CID86922399
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC NameN-[4-(methylcarbamoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
SMILESCNC(=O)Nc1ccc(NC(=O)C2CCCCN2C(=O)c2cccs2)cc1
InChIInChI=1S/C19H22N4O3S/c1-20-19(26)22-14-9-7-13(8-10-14)21-17(24)15-5-2-3-11-23(15)18(25)16-6-4-12-27-16/h4,6-10,12,15H,2-3,5,11H2,1H3,(H,21,24)(H2,20,22,26)
InChIKeyNNFXHYSMSMRZQE-UHFFFAOYSA-N
XLogP3.13
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[4-(phenylcarbamoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 32953422
N-(4-acetamidophenyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 18225954
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
(2S)-N-(3,4-dimethylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 1203465
(2R)-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 2089690
N-[3-(methylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 112767377
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 24675292
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 42941692
2-methyl-3-[4-[[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]propanoic acid
CID 120540851
N-(2,3-dihydro-1H-inden-5-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 42908057
N-[4-(difluoromethylsulfanyl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 78773608

Frequently Asked Questions

What is the IUPAC name of N-[4-(methylcarbamoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The IUPAC name of N-[4-(methylcarbamoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide (CID 86922399) is N-[4-(methylcarbamoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for N-[4-(methylcarbamoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for N-[4-(methylcarbamoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide is CNC(=O)Nc1ccc(NC(=O)C2CCCCN2C(=O)c2cccs2)cc1.
What is the InChIKey of N-[4-(methylcarbamoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The InChIKey is NNFXHYSMSMRZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-20-19(26)22-14-9-7-13(8-10-14)21-17(24)15-5-2-3-11-23(15)18(25)16-6-4-12-27-16/h4,6-10,12,15H,2-3,5,11H2,1H3,(H,21,24)(H2,20,22,26).
What are the key properties of N-[4-(methylcarbamoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
N-[4-(methylcarbamoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide has a molecular weight of 386.48 g/mol, XLogP of 3.13, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methylcarbamoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 86922399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).