N-(4-chloro-2-methylphenyl)-2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzamide

C18H19ClN2O2S — CID 92614894

IUPACN-(4-chloro-2-methylphenyl)-2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzamide
SMILESCc1cc(Cl)ccc1NC(=O)c1ccccc1SCC(=O)N(C)C
InChIInChI=1S/C18H19ClN2O2S/c1-12-10-13(19)8-9-15(12)20-18(23)14-6-4-5-7-16(14)24-11-17(22)21(2)3/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyYIOSMRKANRQEDM-UHFFFAOYSA-N
MW362.88 g/mol
LogP4.08
Rot. Bonds5

About N-(4-chloro-2-methylphenyl)-2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzamide

N-(4-chloro-2-methylphenyl)-2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzamide (PubChem CID 92614894) has the molecular formula C18H19ClN2O2S and a molecular weight of 362.88 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzamide
PubChem CID92614894
Molecular FormulaC18H19ClN2O2S
Molecular Weight362.88 g/mol
Exact Mass362.09
IUPAC NameN-(4-chloro-2-methylphenyl)-2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzamide
SMILESCc1cc(Cl)ccc1NC(=O)c1ccccc1SCC(=O)N(C)C
InChIInChI=1S/C18H19ClN2O2S/c1-12-10-13(19)8-9-15(12)20-18(23)14-6-4-5-7-16(14)24-11-17(22)21(2)3/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyYIOSMRKANRQEDM-UHFFFAOYSA-N
XLogP4.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-(2-fluoro-4-methylphenyl)benzamide
CID 43016105
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 51289033
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-(4-methyl-3-nitrophenyl)benzamide
CID 29201392
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-propan-2-ylbenzamide
CID 27648205
N-(4-bromo-2-methylphenyl)-2-ethylsulfanylbenzamide
CID 4631177
N-(4-chloro-2-methylphenyl)-2,4,5-trimethylbenzamide
CID 100708233
N-(4-chloro-2-methylphenyl)-2-(propylamino)benzamide
CID 63107746
N-(2,4-dichlorophenyl)-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide
CID 55335321
3-(4-chloro-2-methylphenyl)-1,1-dimethylurea
CID 551912
N-(2,4-dichlorophenyl)-2-[[2-[(2,4-dichlorophenyl)carbamoyl]phenyl]disulfanyl]benzamide
CID 6483556
[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate
CID 9066757
2-amino-3-chloro-N-(4-chloro-2-methylphenyl)benzamide
CID 82546494

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzamide (CID 92614894) is N-(4-chloro-2-methylphenyl)-2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzamide is Cc1cc(Cl)ccc1NC(=O)c1ccccc1SCC(=O)N(C)C.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzamide?
The InChIKey is YIOSMRKANRQEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2S/c1-12-10-13(19)8-9-15(12)20-18(23)14-6-4-5-7-16(14)24-11-17(22)21(2)3/h4-10H,11H2,1-3H3,(H,20,23).
What are the key properties of N-(4-chloro-2-methylphenyl)-2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzamide?
N-(4-chloro-2-methylphenyl)-2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzamide has a molecular weight of 362.88 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzamide is sourced from PubChem (CID 92614894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).