2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methylpiperidin-3-yl)acetamide

C17H25N3O2S — CID 120574349

IUPAC2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methylpiperidin-3-yl)acetamide
SMILESCc1ccc(NC(=O)CSCC(=O)NC2CCCNC2C)cc1
InChIInChI=1S/C17H25N3O2S/c1-12-5-7-14(8-6-12)19-16(21)10-23-11-17(22)20-15-4-3-9-18-13(15)2/h5-8,13,15,18H,3-4,9-11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyFIVYRFQSOQLSII-UHFFFAOYSA-N
MW335.47 g/mol
LogP1.92
Rot. Bonds6

About 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methylpiperidin-3-yl)acetamide

2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methylpiperidin-3-yl)acetamide (PubChem CID 120574349) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methylpiperidin-3-yl)acetamide.

Molecular Properties

Compound Name2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methylpiperidin-3-yl)acetamide
PubChem CID120574349
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC Name2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methylpiperidin-3-yl)acetamide
SMILESCc1ccc(NC(=O)CSCC(=O)NC2CCCNC2C)cc1
InChIInChI=1S/C17H25N3O2S/c1-12-5-7-14(8-6-12)19-16(21)10-23-11-17(22)20-15-4-3-9-18-13(15)2/h5-8,13,15,18H,3-4,9-11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyFIVYRFQSOQLSII-UHFFFAOYSA-N
XLogP1.92
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methylpiperidin-3-yl)propanamide
CID 120577866
1-(4-methylphenyl)-3-(2-methylpiperidin-3-yl)urea
CID 79043190
N-[2-(aminomethyl)cyclopentyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide
CID 119603715
2-(2,5-dimethylphenyl)sulfanyl-N-(2-methylpiperidin-3-yl)acetamide
CID 120573822
2-(2,5-dimethylphenyl)sulfanyl-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
CID 120573821
2-(4-methylphenoxy)-N-(2-methylpiperidin-3-yl)acetamide
CID 120576127
5-(4-methylphenyl)-N-(2-methylpiperidin-3-yl)pentanamide
CID 120576475
2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 9403960
N-(2-methylpiperidin-3-yl)-2-(trifluoromethylsulfanyl)acetamide
CID 120574103
5-(4-methylphenyl)-N-(2-methylpiperidin-3-yl)pentanamide;hydrochloride
CID 120576474
N-(2-methylpiperidin-3-yl)-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 120573924
3-(4-methylphenyl)-N-[2-[(2-methylpiperidin-3-yl)amino]-2-oxoethyl]propanamide
CID 120575814

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methylpiperidin-3-yl)acetamide?
The IUPAC name of 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methylpiperidin-3-yl)acetamide (CID 120574349) is 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methylpiperidin-3-yl)acetamide.
What is the SMILES notation for 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methylpiperidin-3-yl)acetamide?
The canonical SMILES for 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methylpiperidin-3-yl)acetamide is Cc1ccc(NC(=O)CSCC(=O)NC2CCCNC2C)cc1.
What is the InChIKey of 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methylpiperidin-3-yl)acetamide?
The InChIKey is FIVYRFQSOQLSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-12-5-7-14(8-6-12)19-16(21)10-23-11-17(22)20-15-4-3-9-18-13(15)2/h5-8,13,15,18H,3-4,9-11H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methylpiperidin-3-yl)acetamide?
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methylpiperidin-3-yl)acetamide has a molecular weight of 335.47 g/mol, XLogP of 1.92, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methylpiperidin-3-yl)acetamide is sourced from PubChem (CID 120574349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).