2-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methylphenyl)acetamide

C18H20N2O2S — CID 2088601

IUPAC2-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CSCC(=O)Nc1ccccc1C
InChIInChI=1S/C18H20N2O2S/c1-13-7-3-5-9-15(13)19-17(21)11-23-12-18(22)20-16-10-6-4-8-14(16)2/h3-10H,11-12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyDHYCAOLRSQPKFW-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.61
Rot. Bonds6

About 2-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methylphenyl)acetamide

2-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methylphenyl)acetamide (PubChem CID 2088601) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 2-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methylphenyl)acetamide
PubChem CID2088601
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name2-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CSCC(=O)Nc1ccccc1C
InChIInChI=1S/C18H20N2O2S/c1-13-7-3-5-9-15(13)19-17(21)11-23-12-18(22)20-16-10-6-4-8-14(16)2/h3-10H,11-12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyDHYCAOLRSQPKFW-UHFFFAOYSA-N
XLogP3.61
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-acetyl-o-toluidine
CID 8443
N,N'-Diacetylbenzidine
CID 11942
Cinanserin
CID 5475158
O-Ethylacetanilide
CID 36332
p-Malonotoluidide
CID 95277
2-{[2-Oxo-2-(4-toluidino)ethyl]sulfanyl}-acetic acid
CID 737675
N,N'-DI(O-Tolyl)oxamide
CID 223396
2-(benzylthio)-N-phenylacetamide
CID 584914
Thioglycolic acid o-toluidide
CID 37364
4',4''-Methylenebis(acetanilide)
CID 94990
2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(2-methylphenyl)acetamide
CID 3109980
trans-4-Acetylaminostilbene
CID 786655

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methylphenyl)acetamide (CID 2088601) is 2-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CSCC(=O)Nc1ccccc1C.
What is the InChIKey of 2-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methylphenyl)acetamide?
The InChIKey is DHYCAOLRSQPKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-13-7-3-5-9-15(13)19-17(21)11-23-12-18(22)20-16-10-6-4-8-14(16)2/h3-10H,11-12H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 2-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methylphenyl)acetamide?
2-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methylphenyl)acetamide has a molecular weight of 328.44 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 2088601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).