3-methyl-N-[3-[2-(2-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide

C23H22N2O2S — CID 18906786

IUPAC3-methyl-N-[3-[2-(2-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide
SMILESCc1cccc(C(=O)Nc2cccc(SCC(=O)Nc3ccccc3C)c2)c1
InChIInChI=1S/C23H22N2O2S/c1-16-7-5-9-18(13-16)23(27)24-19-10-6-11-20(14-19)28-15-22(26)25-21-12-4-3-8-17(21)2/h3-14H,15H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyRMNLHUNXYGFGBX-UHFFFAOYSA-N
MW390.51 g/mol
LogP5.29
Rot. Bonds6

About 3-methyl-N-[3-[2-(2-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide

3-methyl-N-[3-[2-(2-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide (PubChem CID 18906786) has the molecular formula C23H22N2O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is 3-methyl-N-[3-[2-(2-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[3-[2-(2-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide
PubChem CID18906786
Molecular FormulaC23H22N2O2S
Molecular Weight390.51 g/mol
Exact Mass390.14
IUPAC Name3-methyl-N-[3-[2-(2-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide
SMILESCc1cccc(C(=O)Nc2cccc(SCC(=O)Nc3ccccc3C)c2)c1
InChIInChI=1S/C23H22N2O2S/c1-16-7-5-9-18(13-16)23(27)24-19-10-6-11-20(14-19)28-15-22(26)25-21-12-4-3-8-17(21)2/h3-14H,15H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyRMNLHUNXYGFGBX-UHFFFAOYSA-N
XLogP5.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.51
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[2-(2-chloroanilino)-2-oxoethyl]sulfanylphenyl]-3-methylbenzamide
CID 18906768
4-methyl-3-[[2-[3-[(3-methylbenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid
CID 18906828
2-[[3-[2-(2-methylanilino)-2-oxoethyl]sulfanylphenyl]carbamoyl]benzoic acid
CID 18895638
N-[3-[2-(4-carbamoylanilino)-2-oxoethyl]sulfanylphenyl]-3-methylbenzamide
CID 18906826
N-[3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide
CID 18908221
N-[3-[2-(2-methylanilino)-2-oxoethyl]sulfanylphenyl]-4-nitrobenzamide
CID 18905346
N-[3-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-3-methylbenzamide
CID 18906799
N-[3-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]sulfanylphenyl]-3-methylbenzamide
CID 18906791
3-methyl-N-[4-[2-(3-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 19630153
N-[3-[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanylphenyl]-3,4-dimethoxybenzamide
CID 18902750
N-[4-[2-(2-bromoanilino)-2-oxoethyl]sulfanylphenyl]-3-methylbenzamide
CID 22783191
N-[3-[2-(3-methylanilino)-2-oxoethyl]sulfanylphenyl]-3-nitrobenzamide
CID 18905059

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-[2-(2-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide?
The IUPAC name of 3-methyl-N-[3-[2-(2-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide (CID 18906786) is 3-methyl-N-[3-[2-(2-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide.
What is the SMILES notation for 3-methyl-N-[3-[2-(2-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide?
The canonical SMILES for 3-methyl-N-[3-[2-(2-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide is Cc1cccc(C(=O)Nc2cccc(SCC(=O)Nc3ccccc3C)c2)c1.
What is the InChIKey of 3-methyl-N-[3-[2-(2-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide?
The InChIKey is RMNLHUNXYGFGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2S/c1-16-7-5-9-18(13-16)23(27)24-19-10-6-11-20(14-19)28-15-22(26)25-21-12-4-3-8-17(21)2/h3-14H,15H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of 3-methyl-N-[3-[2-(2-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide?
3-methyl-N-[3-[2-(2-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide has a molecular weight of 390.51 g/mol, XLogP of 5.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-[2-(2-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide is sourced from PubChem (CID 18906786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).