N-[3-[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide

C24H23NO4S — CID 19299539

IUPACN-[3-[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide
SMILESCCOc1ccc(C(=O)CSc2cccc(NC(=O)c3cccc(OC)c3)c2)cc1
InChIInChI=1S/C24H23NO4S/c1-3-29-20-12-10-17(11-13-20)23(26)16-30-22-9-5-7-19(15-22)25-24(27)18-6-4-8-21(14-18)28-2/h4-15H,3,16H2,1-2H3,(H,25,27)
InChIKeyWINDUYNGKMKQLW-UHFFFAOYSA-N
MW421.52 g/mol
LogP5.32
Rot. Bonds9

About N-[3-[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide

N-[3-[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide (PubChem CID 19299539) has the molecular formula C24H23NO4S and a molecular weight of 421.52 g/mol. Its IUPAC name is N-[3-[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[3-[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide
PubChem CID19299539
Molecular FormulaC24H23NO4S
Molecular Weight421.52 g/mol
Exact Mass421.13
IUPAC NameN-[3-[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide
SMILESCCOc1ccc(C(=O)CSc2cccc(NC(=O)c3cccc(OC)c3)c2)cc1
InChIInChI=1S/C24H23NO4S/c1-3-29-20-12-10-17(11-13-20)23(26)16-30-22-9-5-7-19(15-22)25-24(27)18-6-4-8-21(14-18)28-2/h4-15H,3,16H2,1-2H3,(H,25,27)
InChIKeyWINDUYNGKMKQLW-UHFFFAOYSA-N
XLogP5.32
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.52
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanylphenyl]-3-nitrobenzamide
CID 19299647
2-[[3-[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanylphenyl]carbamoyl]benzoic acid
CID 18894758
4-fluoro-N-[3-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]benzamide
CID 19299599
2,6-dimethoxy-N-[3-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]benzamide
CID 19299834
ethyl 4-[3-[(3-methoxybenzoyl)amino]phenyl]sulfanyl-3-oxobutanoate
CID 19318477
N-[3-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
CID 19299690
N-[3-[2-(4-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-3-methoxybenzamide
CID 18903501
3-[(4-ethoxybenzoyl)amino]-N-(4-methoxyphenyl)benzamide
CID 1228510
butyl 4-[[2-[3-[(3-methoxybenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate
CID 18903375
2,3,4,5-tetrachloro-6-[[3-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]carbamoyl]benzoic acid
CID 18894783
N-[3-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]cyclopropanecarboxamide
CID 19299420
N-[(Z)-1-(3,4-dimethoxyphenyl)-3-[3-[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanylanilino]-3-oxoprop-1-en-2-yl]benzamide
CID 19301286

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide?
The IUPAC name of N-[3-[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide (CID 19299539) is N-[3-[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide.
What is the SMILES notation for N-[3-[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide?
The canonical SMILES for N-[3-[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide is CCOc1ccc(C(=O)CSc2cccc(NC(=O)c3cccc(OC)c3)c2)cc1.
What is the InChIKey of N-[3-[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide?
The InChIKey is WINDUYNGKMKQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4S/c1-3-29-20-12-10-17(11-13-20)23(26)16-30-22-9-5-7-19(15-22)25-24(27)18-6-4-8-21(14-18)28-2/h4-15H,3,16H2,1-2H3,(H,25,27).
What are the key properties of N-[3-[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide?
N-[3-[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide has a molecular weight of 421.52 g/mol, XLogP of 5.32, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide is sourced from PubChem (CID 19299539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).