1-[2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylbenzoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide

C26H34N4O4S — CID 55520295

IUPAC1-[2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylbenzoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(C(=O)c3ccccc3SCC(=O)N(C)C3CCCCC3)CC2)no1
InChIInChI=1S/C26H34N4O4S/c1-18-16-23(28-34-18)27-25(32)19-12-14-30(15-13-19)26(33)21-10-6-7-11-22(21)35-17-24(31)29(2)20-8-4-3-5-9-20/h6-7,10-11,16,19-20H,3-5,8-9,12-15,17H2,1-2H3,(H,27,28,32)
InChIKeyPXTASAZRNITLGA-UHFFFAOYSA-N
MW498.65 g/mol
LogP4.36
Rot. Bonds7

About 1-[2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylbenzoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide

1-[2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylbenzoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide (PubChem CID 55520295) has the molecular formula C26H34N4O4S and a molecular weight of 498.65 g/mol. Its IUPAC name is 1-[2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylbenzoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylbenzoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
PubChem CID55520295
Molecular FormulaC26H34N4O4S
Molecular Weight498.65 g/mol
Exact Mass498.23
IUPAC Name1-[2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylbenzoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(C(=O)c3ccccc3SCC(=O)N(C)C3CCCCC3)CC2)no1
InChIInChI=1S/C26H34N4O4S/c1-18-16-23(28-34-18)27-25(32)19-12-14-30(15-13-19)26(33)21-10-6-7-11-22(21)35-17-24(31)29(2)20-8-4-3-5-9-20/h6-7,10-11,16,19-20H,3-5,8-9,12-15,17H2,1-2H3,(H,27,28,32)
InChIKeyPXTASAZRNITLGA-UHFFFAOYSA-N
XLogP4.36
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.65
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylbenzoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-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

N-cyclohexyl-N-methyl-2-[2-[4-(2-methylphenyl)piperazine-1-carbonyl]phenyl]sulfanylacetamide
CID 112766370
1-N,1-N-dimethyl-4-N-(5-methyl-1,2-oxazol-3-yl)piperidine-1,4-dicarboxamide
CID 47136046
2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(1-methylpyrazol-3-yl)benzamide
CID 51237876
N-butan-2-yl-2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylbenzamide
CID 55334635
N-cyclohexyl-2-[2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)phenyl]sulfanyl-N-methylacetamide
CID 112831960
1-[2-(2,5-dimethylphenyl)sulfanylacetyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 39700740
N-(5-methyl-1,2-oxazol-3-yl)-1-(1-methyl-2-oxoquinoline-4-carbonyl)piperidine-4-carboxamide
CID 55758260
3-[[2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylbenzoyl]amino]propanoic acid
CID 119177043
N-(5-methyl-1,2-oxazol-3-yl)-1-[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]piperidine-4-carboxamide
CID 55535835
2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 112765032
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate
CID 7739818
2-[cyclohexyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 18078417

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylbenzoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylbenzoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide (CID 55520295) is 1-[2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylbenzoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylbenzoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylbenzoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide is Cc1cc(NC(=O)C2CCN(C(=O)c3ccccc3SCC(=O)N(C)C3CCCCC3)CC2)no1.
What is the InChIKey of 1-[2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylbenzoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?
The InChIKey is PXTASAZRNITLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O4S/c1-18-16-23(28-34-18)27-25(32)19-12-14-30(15-13-19)26(33)21-10-6-7-11-22(21)35-17-24(31)29(2)20-8-4-3-5-9-20/h6-7,10-11,16,19-20H,3-5,8-9,12-15,17H2,1-2H3,(H,27,28,32).
What are the key properties of 1-[2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylbenzoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?
1-[2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylbenzoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide has a molecular weight of 498.65 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylbenzoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 55520295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).