N-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide

C24H24N2O5S — CID 22782821

IUPACN-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide
SMILESCOc1cc(NC(=O)CSc2ccc(NC(=O)c3cccc(OC)c3)cc2)cc(OC)c1
InChIInChI=1S/C24H24N2O5S/c1-29-19-6-4-5-16(11-19)24(28)26-17-7-9-22(10-8-17)32-15-23(27)25-18-12-20(30-2)14-21(13-18)31-3/h4-14H,15H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyPORFGTHFRWNXST-UHFFFAOYSA-N
MW452.53 g/mol
LogP4.70
Rot. Bonds9

About N-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide

N-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide (PubChem CID 22782821) has the molecular formula C24H24N2O5S and a molecular weight of 452.53 g/mol. Its IUPAC name is N-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide
PubChem CID22782821
Molecular FormulaC24H24N2O5S
Molecular Weight452.53 g/mol
Exact Mass452.14
IUPAC NameN-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide
SMILESCOc1cc(NC(=O)CSc2ccc(NC(=O)c3cccc(OC)c3)cc2)cc(OC)c1
InChIInChI=1S/C24H24N2O5S/c1-29-19-6-4-5-16(11-19)24(28)26-17-7-9-22(10-8-17)32-15-23(27)25-18-12-20(30-2)14-21(13-18)31-3/h4-14H,15H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyPORFGTHFRWNXST-UHFFFAOYSA-N
XLogP4.70
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 22777789
N-[4-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide
CID 23095520
N-[4-[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide
CID 22781328
N-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-4-fluorobenzamide
CID 22781220
3-methoxy-N-[4-[2-(2-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 19631535
N-[4-[2-(2,5-dichloroanilino)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide
CID 23095521
3-methoxy-N-[4-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]benzamide
CID 19630369
N-[4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide
CID 22778750
N-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide
CID 22780504
N-(3-methoxyphenyl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
CID 19712816
N-[4-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide
CID 23099491
butyl 4-[[2-[3-[(3-methoxybenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate
CID 18903375

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide?
The IUPAC name of N-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide (CID 22782821) is N-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide.
What is the SMILES notation for N-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide?
The canonical SMILES for N-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide is COc1cc(NC(=O)CSc2ccc(NC(=O)c3cccc(OC)c3)cc2)cc(OC)c1.
What is the InChIKey of N-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide?
The InChIKey is PORFGTHFRWNXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5S/c1-29-19-6-4-5-16(11-19)24(28)26-17-7-9-22(10-8-17)32-15-23(27)25-18-12-20(30-2)14-21(13-18)31-3/h4-14H,15H2,1-3H3,(H,25,27)(H,26,28).
What are the key properties of N-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide?
N-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide has a molecular weight of 452.53 g/mol, XLogP of 4.70, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide is sourced from PubChem (CID 22782821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).