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

C24H24N4O3S — CID 32953422

IUPAC(2R)-N-[4-(phenylcarbamoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
SMILESO=C(Nc1ccccc1)Nc1ccc(NC(=O)[C@H]2CCCCN2C(=O)c2cccs2)cc1
InChIInChI=1S/C24H24N4O3S/c29-22(20-9-4-5-15-28(20)23(30)21-10-6-16-32-21)25-18-11-13-19(14-12-18)27-24(31)26-17-7-2-1-3-8-17/h1-3,6-8,10-14,16,20H,4-5,9,15H2,(H,25,29)(H2,26,27,31)/t20-/m1/s1
InChIKeyWGUZYNJIEXVNSX-HXUWFJFHSA-N
MW448.55 g/mol
LogP5.03
Rot. Bonds5

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

(2R)-N-[4-(phenylcarbamoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide (PubChem CID 32953422) has the molecular formula C24H24N4O3S and a molecular weight of 448.55 g/mol. Its IUPAC name is (2R)-N-[4-(phenylcarbamoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[4-(phenylcarbamoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
PubChem CID32953422
Molecular FormulaC24H24N4O3S
Molecular Weight448.55 g/mol
Exact Mass448.16
IUPAC Name(2R)-N-[4-(phenylcarbamoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
SMILESO=C(Nc1ccccc1)Nc1ccc(NC(=O)[C@H]2CCCCN2C(=O)c2cccs2)cc1
InChIInChI=1S/C24H24N4O3S/c29-22(20-9-4-5-15-28(20)23(30)21-10-6-16-32-21)25-18-11-13-19(14-12-18)27-24(31)26-17-7-2-1-3-8-17/h1-3,6-8,10-14,16,20H,4-5,9,15H2,(H,25,29)(H2,26,27,31)/t20-/m1/s1
InChIKeyWGUZYNJIEXVNSX-HXUWFJFHSA-N
XLogP5.03
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.55
LogP ≤ 55.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(methylcarbamoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 86922399
N-(4-acetamidophenyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 18225954
N-(4-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78844859
N-[4-(propanoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78887255
(2R)-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 2089690
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
(2S)-N-(3,4-dimethylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 1203465
N-[4-(difluoromethylsulfanyl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 78773608
(2S)-N-[4-(1,3-thiazol-2-yl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 9114837

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(phenylcarbamoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The IUPAC name of (2R)-N-[4-(phenylcarbamoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide (CID 32953422) is (2R)-N-[4-(phenylcarbamoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[4-(phenylcarbamoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-[4-(phenylcarbamoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide is O=C(Nc1ccccc1)Nc1ccc(NC(=O)[C@H]2CCCCN2C(=O)c2cccs2)cc1.
What is the InChIKey of (2R)-N-[4-(phenylcarbamoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The InChIKey is WGUZYNJIEXVNSX-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H24N4O3S/c29-22(20-9-4-5-15-28(20)23(30)21-10-6-16-32-21)25-18-11-13-19(14-12-18)27-24(31)26-17-7-2-1-3-8-17/h1-3,6-8,10-14,16,20H,4-5,9,15H2,(H,25,29)(H2,26,27,31)/t20-/m1/s1.
What are the key properties of (2R)-N-[4-(phenylcarbamoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
(2R)-N-[4-(phenylcarbamoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide has a molecular weight of 448.55 g/mol, XLogP of 5.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(phenylcarbamoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 32953422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).