3-methoxy-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylphenyl]benzamide

C23H22N2O4S — CID 22777789

IUPAC3-methoxy-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylphenyl]benzamide
SMILESCOc1ccc(NC(=O)CSc2ccc(NC(=O)c3cccc(OC)c3)cc2)cc1
InChIInChI=1S/C23H22N2O4S/c1-28-19-10-6-17(7-11-19)24-22(26)15-30-21-12-8-18(9-13-21)25-23(27)16-4-3-5-20(14-16)29-2/h3-14H,15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyDZWBHCJKMQOIDO-UHFFFAOYSA-N
MW422.51 g/mol
LogP4.69
Rot. Bonds8

About 3-methoxy-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylphenyl]benzamide

3-methoxy-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylphenyl]benzamide (PubChem CID 22777789) has the molecular formula C23H22N2O4S and a molecular weight of 422.51 g/mol. Its IUPAC name is 3-methoxy-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylphenyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylphenyl]benzamide
PubChem CID22777789
Molecular FormulaC23H22N2O4S
Molecular Weight422.51 g/mol
Exact Mass422.13
IUPAC Name3-methoxy-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylphenyl]benzamide
SMILESCOc1ccc(NC(=O)CSc2ccc(NC(=O)c3cccc(OC)c3)cc2)cc1
InChIInChI=1S/C23H22N2O4S/c1-28-19-10-6-17(7-11-19)24-22(26)15-30-21-12-8-18(9-13-21)25-23(27)16-4-3-5-20(14-16)29-2/h3-14H,15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyDZWBHCJKMQOIDO-UHFFFAOYSA-N
XLogP4.69
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide
CID 22782821
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
3-methoxy-N-[4-[2-(2-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 19631535
3-methoxy-N-[4-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]benzamide
CID 19630369
N-[4-[2-(2,5-dichloroanilino)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide
CID 23095521
N-[4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide
CID 22778750
butyl 4-[[2-[3-[(3-methoxybenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate
CID 18903375
4-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]benzoic acid
CID 47094711
3-chloro-N-[4-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanylphenyl]benzamide
CID 23098901
ethyl 4-[[2-[4-[(4-methoxybenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate
CID 23095935
N-[4-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide
CID 23099491

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylphenyl]benzamide?
The IUPAC name of 3-methoxy-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylphenyl]benzamide (CID 22777789) is 3-methoxy-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylphenyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylphenyl]benzamide?
The canonical SMILES for 3-methoxy-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylphenyl]benzamide is COc1ccc(NC(=O)CSc2ccc(NC(=O)c3cccc(OC)c3)cc2)cc1.
What is the InChIKey of 3-methoxy-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylphenyl]benzamide?
The InChIKey is DZWBHCJKMQOIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4S/c1-28-19-10-6-17(7-11-19)24-22(26)15-30-21-12-8-18(9-13-21)25-23(27)16-4-3-5-20(14-16)29-2/h3-14H,15H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 3-methoxy-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylphenyl]benzamide?
3-methoxy-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylphenyl]benzamide has a molecular weight of 422.51 g/mol, XLogP of 4.69, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylphenyl]benzamide is sourced from PubChem (CID 22777789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).