N-[4-[2-(4-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclohexanecarboxamide

C29H32N2O3S — CID 23098886

IUPACN-[4-[2-(4-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclohexanecarboxamide
SMILESCCOc1ccc(NC(=O)C(Sc2ccc(NC(=O)C3CCCCC3)cc2)c2ccccc2)cc1
InChIInChI=1S/C29H32N2O3S/c1-2-34-25-17-13-23(14-18-25)31-29(33)27(21-9-5-3-6-10-21)35-26-19-15-24(16-20-26)30-28(32)22-11-7-4-8-12-22/h3,5-6,9-10,13-20,22,27H,2,4,7-8,11-12H2,1H3,(H,30,32)(H,31,33)
InChIKeyZGQZWXNEBVFDSD-UHFFFAOYSA-N
MW488.65 g/mol
LogP7.08
Rot. Bonds9

About N-[4-[2-(4-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclohexanecarboxamide

N-[4-[2-(4-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclohexanecarboxamide (PubChem CID 23098886) has the molecular formula C29H32N2O3S and a molecular weight of 488.65 g/mol. Its IUPAC name is N-[4-[2-(4-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-(4-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclohexanecarboxamide
PubChem CID23098886
Molecular FormulaC29H32N2O3S
Molecular Weight488.65 g/mol
Exact Mass488.21
IUPAC NameN-[4-[2-(4-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclohexanecarboxamide
SMILESCCOc1ccc(NC(=O)C(Sc2ccc(NC(=O)C3CCCCC3)cc2)c2ccccc2)cc1
InChIInChI=1S/C29H32N2O3S/c1-2-34-25-17-13-23(14-18-25)31-29(33)27(21-9-5-3-6-10-21)35-26-19-15-24(16-20-26)30-28(32)22-11-7-4-8-12-22/h3,5-6,9-10,13-20,22,27H,2,4,7-8,11-12H2,1H3,(H,30,32)(H,31,33)
InChIKeyZGQZWXNEBVFDSD-UHFFFAOYSA-N
XLogP7.08
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.65
LogP ≤ 57.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[2-(4-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclohexanecarboxamide 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-[4-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclohexanecarboxamide
CID 23095705
2-[[4-[2-(4-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]carbamoyl]benzoic acid
CID 22785382
N-[3-[2-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxo-1-phenylethyl]sulfanylphenyl]cyclohexanecarboxamide
CID 18900702
N-[4-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]cyclohexanecarboxamide
CID 21168405
N-(4-ethoxyphenyl)-2-phenyl-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
CID 19316518
N-[4-[2-(5-chloro-2-methoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclohexanecarboxamide
CID 23100911
N-[4-[2-(4-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-3-methylbenzamide
CID 23099727
N-[3-[2-(4-methoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclopropanecarboxamide
CID 18901476
3-chloro-N-[4-[2-(4-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CID 21167187
4-[4-[2-(4-butoxyanilino)-2-oxo-1-phenylethyl]sulfanylanilino]-4-oxobutanoic acid
CID 22786434
N-[4-[2-(3-chloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclopropanecarboxamide
CID 22780613
2-phenyl-N-(4-phenylmethoxyphenyl)-2-phenylsulfanylacetamide
CID 2905293

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-[2-(4-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclohexanecarboxamide (CID 23098886) is N-[4-[2-(4-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-[2-(4-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-[2-(4-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclohexanecarboxamide is CCOc1ccc(NC(=O)C(Sc2ccc(NC(=O)C3CCCCC3)cc2)c2ccccc2)cc1.
What is the InChIKey of N-[4-[2-(4-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclohexanecarboxamide?
The InChIKey is ZGQZWXNEBVFDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O3S/c1-2-34-25-17-13-23(14-18-25)31-29(33)27(21-9-5-3-6-10-21)35-26-19-15-24(16-20-26)30-28(32)22-11-7-4-8-12-22/h3,5-6,9-10,13-20,22,27H,2,4,7-8,11-12H2,1H3,(H,30,32)(H,31,33).
What are the key properties of N-[4-[2-(4-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclohexanecarboxamide?
N-[4-[2-(4-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclohexanecarboxamide has a molecular weight of 488.65 g/mol, XLogP of 7.08, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclohexanecarboxamide is sourced from PubChem (CID 23098886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).