2-[2-(dimethylamino)ethylsulfanyl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide

C18H29N3O2S — CID 71856374

IUPAC2-[2-(dimethylamino)ethylsulfanyl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)C(C)SCCN(C)C
InChIInChI=1S/C18H29N3O2S/c1-6-15-9-7-8-10-16(15)19-17(22)13-21(5)18(23)14(2)24-12-11-20(3)4/h7-10,14H,6,11-13H2,1-5H3,(H,19,22)
InChIKeyDDHBRATUCFZOPA-UHFFFAOYSA-N
MW351.52 g/mol
LogP2.33
Rot. Bonds9

About 2-[2-(dimethylamino)ethylsulfanyl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide

2-[2-(dimethylamino)ethylsulfanyl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide (PubChem CID 71856374) has the molecular formula C18H29N3O2S and a molecular weight of 351.52 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylsulfanyl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylsulfanyl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide
PubChem CID71856374
Molecular FormulaC18H29N3O2S
Molecular Weight351.52 g/mol
Exact Mass351.20
IUPAC Name2-[2-(dimethylamino)ethylsulfanyl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)C(C)SCCN(C)C
InChIInChI=1S/C18H29N3O2S/c1-6-15-9-7-8-10-16(15)19-17(22)13-21(5)18(23)14(2)24-12-11-20(3)4/h7-10,14H,6,11-13H2,1-5H3,(H,19,22)
InChIKeyDDHBRATUCFZOPA-UHFFFAOYSA-N
XLogP2.33
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.52
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(2-ethylanilino)-2-oxoethyl]-3-methoxy-N-methylpropanamide
CID 120983235
2-[(2-chlorophenyl)methyl-methylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide
CID 55439456
N-(2-ethylphenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 111488425
N-[2-(2-ethylanilino)-2-oxoethyl]-2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-methylpropanamide
CID 42988681
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide
CID 43027452
(2S)-2-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide
CID 95345101
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-(4-propylanilino)propanamide
CID 112799196
2-(dipropylamino)-N-(2-ethylphenyl)acetamide
CID 109006597
2,2-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide
CID 78773366
N-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethylpropanamide
CID 47097234
2-(4-bromo-3-methylanilino)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide
CID 112799144
2-[1-(1-benzofuran-2-yl)ethylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide
CID 112798745

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylsulfanyl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide?
The IUPAC name of 2-[2-(dimethylamino)ethylsulfanyl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide (CID 71856374) is 2-[2-(dimethylamino)ethylsulfanyl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide.
What is the SMILES notation for 2-[2-(dimethylamino)ethylsulfanyl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide?
The canonical SMILES for 2-[2-(dimethylamino)ethylsulfanyl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide is CCc1ccccc1NC(=O)CN(C)C(=O)C(C)SCCN(C)C.
What is the InChIKey of 2-[2-(dimethylamino)ethylsulfanyl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide?
The InChIKey is DDHBRATUCFZOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2S/c1-6-15-9-7-8-10-16(15)19-17(22)13-21(5)18(23)14(2)24-12-11-20(3)4/h7-10,14H,6,11-13H2,1-5H3,(H,19,22).
What are the key properties of 2-[2-(dimethylamino)ethylsulfanyl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide?
2-[2-(dimethylamino)ethylsulfanyl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide has a molecular weight of 351.52 g/mol, XLogP of 2.33, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylsulfanyl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide is sourced from PubChem (CID 71856374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).