3-methyl-N-[4-[2-(3-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide

C23H22N2O2S — CID 19630153

IUPAC3-methyl-N-[4-[2-(3-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide
SMILESCc1cccc(NC(=O)CSc2ccc(NC(=O)c3cccc(C)c3)cc2)c1
InChIInChI=1S/C23H22N2O2S/c1-16-5-3-7-18(13-16)23(27)25-19-9-11-21(12-10-19)28-15-22(26)24-20-8-4-6-17(2)14-20/h3-14H,15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyWFXBKMPVVLODPL-UHFFFAOYSA-N
MW390.51 g/mol
LogP5.29
Rot. Bonds6

About 3-methyl-N-[4-[2-(3-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide

3-methyl-N-[4-[2-(3-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide (PubChem CID 19630153) has the molecular formula C23H22N2O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is 3-methyl-N-[4-[2-(3-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[4-[2-(3-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide
PubChem CID19630153
Molecular FormulaC23H22N2O2S
Molecular Weight390.51 g/mol
Exact Mass390.14
IUPAC Name3-methyl-N-[4-[2-(3-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide
SMILESCc1cccc(NC(=O)CSc2ccc(NC(=O)c3cccc(C)c3)cc2)c1
InChIInChI=1S/C23H22N2O2S/c1-16-5-3-7-18(13-16)23(27)25-19-9-11-21(12-10-19)28-15-22(26)24-20-8-4-6-17(2)14-20/h3-14H,15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyWFXBKMPVVLODPL-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-(4-carbamoylanilino)-2-oxoethyl]sulfanylphenyl]-3-methylbenzamide
CID 18906826
N-[4-[2-(2-bromoanilino)-2-oxoethyl]sulfanylphenyl]-3-methylbenzamide
CID 22783191
ethyl 4-[[2-[4-[(3-methylbenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate
CID 22782235
N-(3-methylphenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide
CID 19712480
4-[2-(3-methylanilino)-2-oxoethyl]sulfanylbenzoic acid
CID 28513538
3-chloro-N-[4-[2-(4-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 22775712
N-(3-methylphenyl)-2-phenylsulfanylacetamide
CID 532042
N-[4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]-3-methylbenzamide
CID 22775886
N-[3-[2-(3-methylanilino)-2-oxoethyl]sulfanylphenyl]-3-nitrobenzamide
CID 18905059
N-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanylphenyl]-3-methylbenzamide
CID 18906832
3-methyl-N-[3-[2-(2-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 18906786
N-[3-[2-(4-bromoanilino)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide
CID 18907054

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[2-(3-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide?
The IUPAC name of 3-methyl-N-[4-[2-(3-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide (CID 19630153) is 3-methyl-N-[4-[2-(3-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide.
What is the SMILES notation for 3-methyl-N-[4-[2-(3-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide?
The canonical SMILES for 3-methyl-N-[4-[2-(3-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide is Cc1cccc(NC(=O)CSc2ccc(NC(=O)c3cccc(C)c3)cc2)c1.
What is the InChIKey of 3-methyl-N-[4-[2-(3-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide?
The InChIKey is WFXBKMPVVLODPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2S/c1-16-5-3-7-18(13-16)23(27)25-19-9-11-21(12-10-19)28-15-22(26)24-20-8-4-6-17(2)14-20/h3-14H,15H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 3-methyl-N-[4-[2-(3-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide?
3-methyl-N-[4-[2-(3-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-[4-[2-(3-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide is sourced from PubChem (CID 19630153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).