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

C18H27N3O2S — CID 120577866

IUPAC2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methylpiperidin-3-yl)propanamide
SMILESCc1ccc(NC(=O)CSC(C)C(=O)NC2CCCNC2C)cc1
InChIInChI=1S/C18H27N3O2S/c1-12-6-8-15(9-7-12)20-17(22)11-24-14(3)18(23)21-16-5-4-10-19-13(16)2/h6-9,13-14,16,19H,4-5,10-11H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyCVMMTANOSKWEDE-UHFFFAOYSA-N
MW349.50 g/mol
LogP2.31
Rot. Bonds6

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

2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methylpiperidin-3-yl)propanamide (PubChem CID 120577866) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methylpiperidin-3-yl)propanamide.

Molecular Properties

Compound Name2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methylpiperidin-3-yl)propanamide
PubChem CID120577866
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC Name2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methylpiperidin-3-yl)propanamide
SMILESCc1ccc(NC(=O)CSC(C)C(=O)NC2CCCNC2C)cc1
InChIInChI=1S/C18H27N3O2S/c1-12-6-8-15(9-7-12)20-17(22)11-24-14(3)18(23)21-16-5-4-10-19-13(16)2/h6-9,13-14,16,19H,4-5,10-11H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyCVMMTANOSKWEDE-UHFFFAOYSA-N
XLogP2.31
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 52.31
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)acetamide
CID 120574349
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-piperidin-3-ylpropanamide
CID 119425787
1-(4-methylphenyl)-3-(2-methylpiperidin-3-yl)urea
CID 79043190
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-piperidin-3-ylpropanamide;hydrochloride
CID 119428204
N-(2-amino-1-cyclohexylethyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 119590006
N-(2-methylpiperidin-3-yl)-2-methylsulfanylpropanamide
CID 120576561
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
CID 119534892
(2S)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 9301686
N-(4-bromophenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 4535489
2-[(2R)-1-(2,2-dimethylhydrazinyl)-1-oxopropan-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 9180108
2-(2,5-dimethylphenyl)sulfanyl-N-(2-methylpiperidin-3-yl)acetamide
CID 120573822
2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 47102669

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methylpiperidin-3-yl)propanamide?
The IUPAC name of 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methylpiperidin-3-yl)propanamide (CID 120577866) is 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methylpiperidin-3-yl)propanamide.
What is the SMILES notation for 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methylpiperidin-3-yl)propanamide?
The canonical SMILES for 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methylpiperidin-3-yl)propanamide is Cc1ccc(NC(=O)CSC(C)C(=O)NC2CCCNC2C)cc1.
What is the InChIKey of 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methylpiperidin-3-yl)propanamide?
The InChIKey is CVMMTANOSKWEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-12-6-8-15(9-7-12)20-17(22)11-24-14(3)18(23)21-16-5-4-10-19-13(16)2/h6-9,13-14,16,19H,4-5,10-11H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methylpiperidin-3-yl)propanamide?
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methylpiperidin-3-yl)propanamide has a molecular weight of 349.50 g/mol, XLogP of 2.31, 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)propanamide is sourced from PubChem (CID 120577866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).