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

C22H19ClN2O2S — CID 22775712

IUPAC3-chloro-N-[4-[2-(4-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide
SMILESCc1ccc(NC(=O)CSc2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1
InChIInChI=1S/C22H19ClN2O2S/c1-15-5-7-18(8-6-15)24-21(26)14-28-20-11-9-19(10-12-20)25-22(27)16-3-2-4-17(23)13-16/h2-13H,14H2,1H3,(H,24,26)(H,25,27)
InChIKeyFWSULECWFCXNJR-UHFFFAOYSA-N
MW410.93 g/mol
LogP5.63
Rot. Bonds6

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

3-chloro-N-[4-[2-(4-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide (PubChem CID 22775712) has the molecular formula C22H19ClN2O2S and a molecular weight of 410.93 g/mol. Its IUPAC name is 3-chloro-N-[4-[2-(4-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[4-[2-(4-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide
PubChem CID22775712
Molecular FormulaC22H19ClN2O2S
Molecular Weight410.93 g/mol
Exact Mass410.09
IUPAC Name3-chloro-N-[4-[2-(4-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide
SMILESCc1ccc(NC(=O)CSc2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1
InChIInChI=1S/C22H19ClN2O2S/c1-15-5-7-18(8-6-15)24-21(26)14-28-20-11-9-19(10-12-20)25-22(27)16-3-2-4-17(23)13-16/h2-13H,14H2,1H3,(H,24,26)(H,25,27)
InChIKeyFWSULECWFCXNJR-UHFFFAOYSA-N
XLogP5.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.93
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 22781799
3-chloro-N-(4-methylphenyl)benzamide
CID 722375
3-chloro-N-[4-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanylphenyl]benzamide
CID 23098901
3-methyl-N-[4-[2-(3-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 19630153
N-[3-[2-(3-chloroanilino)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide
CID 18907057
3-chloro-N-[4-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylphenyl]benzamide
CID 23099959
N-[4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]-3-methylbenzamide
CID 22775886
3-chloro-N-[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]benzamide
CID 4674584
N-[4-[2-(4-carbamoylanilino)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide
CID 22777218
ethyl 4-[[2-[4-[(3-methylbenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate
CID 22782235
N-[4-[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide
CID 22781328
3-methoxy-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 22777789

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-[2-(4-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide?
The IUPAC name of 3-chloro-N-[4-[2-(4-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide (CID 22775712) is 3-chloro-N-[4-[2-(4-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[4-[2-(4-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide?
The canonical SMILES for 3-chloro-N-[4-[2-(4-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide is Cc1ccc(NC(=O)CSc2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1.
What is the InChIKey of 3-chloro-N-[4-[2-(4-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide?
The InChIKey is FWSULECWFCXNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O2S/c1-15-5-7-18(8-6-15)24-21(26)14-28-20-11-9-19(10-12-20)25-22(27)16-3-2-4-17(23)13-16/h2-13H,14H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 3-chloro-N-[4-[2-(4-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide?
3-chloro-N-[4-[2-(4-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide has a molecular weight of 410.93 g/mol, XLogP of 5.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-[2-(4-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide is sourced from PubChem (CID 22775712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).