N-(4-anilinophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-propan-2-ylpiperidine-3-carboxamide

C26H32N4O4S — CID 55985081

IUPACN-(4-anilinophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-propan-2-ylpiperidine-3-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)N(c2ccc(Nc3ccccc3)cc2)C(C)C)C1
InChIInChI=1S/C26H32N4O4S/c1-18(2)30(24-14-12-23(13-15-24)27-22-10-6-5-7-11-22)26(31)21-9-8-16-29(17-21)35(32,33)25-19(3)28-34-20(25)4/h5-7,10-15,18,21,27H,8-9,16-17H2,1-4H3
InChIKeyCMRDMRMERKDGHX-UHFFFAOYSA-N
MW496.63 g/mol
LogP4.88
Rot. Bonds7

About N-(4-anilinophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-propan-2-ylpiperidine-3-carboxamide

N-(4-anilinophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-propan-2-ylpiperidine-3-carboxamide (PubChem CID 55985081) has the molecular formula C26H32N4O4S and a molecular weight of 496.63 g/mol. Its IUPAC name is N-(4-anilinophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-propan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-propan-2-ylpiperidine-3-carboxamide
PubChem CID55985081
Molecular FormulaC26H32N4O4S
Molecular Weight496.63 g/mol
Exact Mass496.21
IUPAC NameN-(4-anilinophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-propan-2-ylpiperidine-3-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)N(c2ccc(Nc3ccccc3)cc2)C(C)C)C1
InChIInChI=1S/C26H32N4O4S/c1-18(2)30(24-14-12-23(13-15-24)27-22-10-6-5-7-11-22)26(31)21-9-8-16-29(17-21)35(32,33)25-19(3)28-34-20(25)4/h5-7,10-15,18,21,27H,8-9,16-17H2,1-4H3
InChIKeyCMRDMRMERKDGHX-UHFFFAOYSA-N
XLogP4.88
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.63
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-anilinophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-propan-2-ylpiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-ethyl-N-phenylpiperidine-3-carboxamide
CID 51265846
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide
CID 55452204
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[1-(4-methoxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide
CID 55560315
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-hydroxy-2-phenylethyl)piperidine-3-carboxamide
CID 55456972
N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidine-3-carboxamide
CID 24532413
N-[[4-(dimethylamino)phenyl]methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-ethylpiperidine-3-carboxamide
CID 55455255
[1-oxo-1-(1-phenylethylamino)propan-2-yl] 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 55473731
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 3756181
(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 7030539
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N,N-bis(furan-2-ylmethyl)piperidine-3-carboxamide
CID 55451606
[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
CID 25449303
(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3,5-dimethylphenyl)piperidine-3-carboxamide
CID 40640936

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-propan-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-(4-anilinophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-propan-2-ylpiperidine-3-carboxamide (CID 55985081) is N-(4-anilinophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-propan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-(4-anilinophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-propan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-(4-anilinophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-propan-2-ylpiperidine-3-carboxamide is Cc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)N(c2ccc(Nc3ccccc3)cc2)C(C)C)C1.
What is the InChIKey of N-(4-anilinophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-propan-2-ylpiperidine-3-carboxamide?
The InChIKey is CMRDMRMERKDGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4S/c1-18(2)30(24-14-12-23(13-15-24)27-22-10-6-5-7-11-22)26(31)21-9-8-16-29(17-21)35(32,33)25-19(3)28-34-20(25)4/h5-7,10-15,18,21,27H,8-9,16-17H2,1-4H3.
What are the key properties of N-(4-anilinophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-propan-2-ylpiperidine-3-carboxamide?
N-(4-anilinophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-propan-2-ylpiperidine-3-carboxamide has a molecular weight of 496.63 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-propan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 55985081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).