N-(4-ethylsulfanylphenyl)-N,2-dimethyl-2-(methylamino)propanamide

C14H22N2OS — CID 115165672

IUPACN-(4-ethylsulfanylphenyl)-N,2-dimethyl-2-(methylamino)propanamide
SMILESCCSc1ccc(N(C)C(=O)C(C)(C)NC)cc1
InChIInChI=1S/C14H22N2OS/c1-6-18-12-9-7-11(8-10-12)16(5)13(17)14(2,3)15-4/h7-10,15H,6H2,1-5H3
InChIKeyWNKIUKRSYHBCBM-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.76
Rot. Bonds5

About N-(4-ethylsulfanylphenyl)-N,2-dimethyl-2-(methylamino)propanamide

N-(4-ethylsulfanylphenyl)-N,2-dimethyl-2-(methylamino)propanamide (PubChem CID 115165672) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is N-(4-ethylsulfanylphenyl)-N,2-dimethyl-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-(4-ethylsulfanylphenyl)-N,2-dimethyl-2-(methylamino)propanamide
PubChem CID115165672
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC NameN-(4-ethylsulfanylphenyl)-N,2-dimethyl-2-(methylamino)propanamide
SMILESCCSc1ccc(N(C)C(=O)C(C)(C)NC)cc1
InChIInChI=1S/C14H22N2OS/c1-6-18-12-9-7-11(8-10-12)16(5)13(17)14(2,3)15-4/h7-10,15H,6H2,1-5H3
InChIKeyWNKIUKRSYHBCBM-UHFFFAOYSA-N
XLogP2.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethoxyphenyl)-N,2-dimethyl-2-(methylamino)propanamide
CID 115165646
2-amino-N-(4-ethylsulfanylphenyl)-3-hydroxy-N-methylpropanamide
CID 115179753
N-(4-ethylsulfanylphenyl)-N-methylazetidine-3-carboxamide
CID 115158779
3-cyano-N-(4-ethylsulfanylphenyl)-N-methylpropanamide
CID 115173680
2-cyano-N-(4-ethylsulfanylphenyl)-N-methylbutanamide
CID 115188241
N,2-dimethyl-2-(methylamino)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 115165676
2-(4-ethylsulfanyl-N-methylanilino)propanoic acid
CID 117041875
N-(4-cyanophenyl)-2-(ethylamino)-N,2-dimethylpropanamide
CID 62982145
2-(4-ethylsulfanyl-N-methylanilino)ethanol
CID 115216147
N,2-dimethyl-2-(methylamino)-N-(1-methylbenzimidazol-5-yl)propanamide
CID 115165679
2-hydroxy-N,2-dimethyl-N-(4-propan-2-ylsulfanylphenyl)propanamide
CID 115178682
N'-(4-ethylsulfanylphenyl)-N',2,2-trimethylpropane-1,3-diamine
CID 115199941

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylsulfanylphenyl)-N,2-dimethyl-2-(methylamino)propanamide?
The IUPAC name of N-(4-ethylsulfanylphenyl)-N,2-dimethyl-2-(methylamino)propanamide (CID 115165672) is N-(4-ethylsulfanylphenyl)-N,2-dimethyl-2-(methylamino)propanamide.
What is the SMILES notation for N-(4-ethylsulfanylphenyl)-N,2-dimethyl-2-(methylamino)propanamide?
The canonical SMILES for N-(4-ethylsulfanylphenyl)-N,2-dimethyl-2-(methylamino)propanamide is CCSc1ccc(N(C)C(=O)C(C)(C)NC)cc1.
What is the InChIKey of N-(4-ethylsulfanylphenyl)-N,2-dimethyl-2-(methylamino)propanamide?
The InChIKey is WNKIUKRSYHBCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-6-18-12-9-7-11(8-10-12)16(5)13(17)14(2,3)15-4/h7-10,15H,6H2,1-5H3.
What are the key properties of N-(4-ethylsulfanylphenyl)-N,2-dimethyl-2-(methylamino)propanamide?
N-(4-ethylsulfanylphenyl)-N,2-dimethyl-2-(methylamino)propanamide has a molecular weight of 266.41 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylsulfanylphenyl)-N,2-dimethyl-2-(methylamino)propanamide is sourced from PubChem (CID 115165672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).