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

C24H24N2O4S — CID 22780504

IUPACN-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide
SMILESCOc1cc(NC(=O)CSc2ccc(NC(=O)c3ccccc3C)cc2)cc(OC)c1
InChIInChI=1S/C24H24N2O4S/c1-16-6-4-5-7-22(16)24(28)26-17-8-10-21(11-9-17)31-15-23(27)25-18-12-19(29-2)14-20(13-18)30-3/h4-14H,15H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyDWBLEFSIHJTSRA-UHFFFAOYSA-N
MW436.53 g/mol
LogP5.00
Rot. Bonds8

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

N-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide (PubChem CID 22780504) has the molecular formula C24H24N2O4S and a molecular weight of 436.53 g/mol. Its IUPAC name is N-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide
PubChem CID22780504
Molecular FormulaC24H24N2O4S
Molecular Weight436.53 g/mol
Exact Mass436.15
IUPAC NameN-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide
SMILESCOc1cc(NC(=O)CSc2ccc(NC(=O)c3ccccc3C)cc2)cc(OC)c1
InChIInChI=1S/C24H24N2O4S/c1-16-6-4-5-7-22(16)24(28)26-17-8-10-21(11-9-17)31-15-23(27)25-18-12-19(29-2)14-20(13-18)30-3/h4-14H,15H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyDWBLEFSIHJTSRA-UHFFFAOYSA-N
XLogP5.00
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide
CID 18906516
N-(3,5-dimethoxyphenyl)-2-methylbenzamide
CID 9096893
N-[4-[2-(4-chloroanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide
CID 22775717
N-[4-[2-(4-acetylanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide
CID 22777041
N-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide
CID 22782821
ethyl 4-[[2-[4-[(2-methylbenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate
CID 22782234
N-[4-[2-(2-chloroanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide
CID 22775724
N-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-4-fluorobenzamide
CID 22781220
N-[(Z)-3-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanylanilino]-1-(2-methylphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 22189662
methyl 3-[4-[(2-methylbenzoyl)amino]anilino]-3-oxopropanoate
CID 28638140
3-methoxy-N-[4-[2-(2-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 19631535
8-[[4-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid
CID 22786562

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide?
The IUPAC name of N-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide (CID 22780504) is N-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide.
What is the SMILES notation for N-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide?
The canonical SMILES for N-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide is COc1cc(NC(=O)CSc2ccc(NC(=O)c3ccccc3C)cc2)cc(OC)c1.
What is the InChIKey of N-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide?
The InChIKey is DWBLEFSIHJTSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4S/c1-16-6-4-5-7-22(16)24(28)26-17-8-10-21(11-9-17)31-15-23(27)25-18-12-19(29-2)14-20(13-18)30-3/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]-2-methylbenzamide?
N-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide has a molecular weight of 436.53 g/mol, XLogP of 5.00, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide is sourced from PubChem (CID 22780504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).