N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-(4-sulfanylphenyl)acetamide

C14H20N2O2S — CID 107024826

IUPACN-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-(4-sulfanylphenyl)acetamide
SMILESCCN(CC(=O)N(C)C)C(=O)Cc1ccc(S)cc1
InChIInChI=1S/C14H20N2O2S/c1-4-16(10-14(18)15(2)3)13(17)9-11-5-7-12(19)8-6-11/h5-8,19H,4,9-10H2,1-3H3
InChIKeyFQLMEBNUJATWIR-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.45
Rot. Bonds5

About N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-(4-sulfanylphenyl)acetamide

N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-(4-sulfanylphenyl)acetamide (PubChem CID 107024826) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-(4-sulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-(4-sulfanylphenyl)acetamide
PubChem CID107024826
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-(4-sulfanylphenyl)acetamide
SMILESCCN(CC(=O)N(C)C)C(=O)Cc1ccc(S)cc1
InChIInChI=1S/C14H20N2O2S/c1-4-16(10-14(18)15(2)3)13(17)9-11-5-7-12(19)8-6-11/h5-8,19H,4,9-10H2,1-3H3
InChIKeyFQLMEBNUJATWIR-UHFFFAOYSA-N
XLogP1.45
TPSA40.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide;hydrochloride
CID 119744178
N-methyl-N-(2-methylbutyl)-2-(4-sulfanylphenyl)acetamide
CID 107022525
N,N-dimethyl-2-(4-methylphenyl)acetamide
CID 4048798
2-[[2-(4-bromophenyl)acetyl]-ethylamino]acetic acid
CID 54901024
N-butyl-N-(2-hydroxyethyl)-2-(4-sulfanylphenyl)acetamide
CID 107024746
N,N-bis(cyclopropylmethyl)-2-(4-sulfanylphenyl)acetamide
CID 107030502
2-[4-[acetyl(methyl)amino]phenyl]-N,N-diethylacetamide
CID 110674893
N,N-diethyl-2-(4-phenylphenyl)acetamide
CID 52895246
N-benzyl-N-methyl-2-(4-sulfanylphenyl)acetamide
CID 107020688
N-ethyl-N-(2-methylprop-2-enyl)-2-(4-nitrophenyl)acetamide
CID 134013284
methyl 2-[[2-(4-acetamidophenyl)acetyl]-ethylamino]acetate
CID 61383483
2-[ethyl-[(4-methylphenyl)methyl]amino]-N,N-dimethylacetamide
CID 47053554

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-(4-sulfanylphenyl)acetamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-(4-sulfanylphenyl)acetamide (CID 107024826) is N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-(4-sulfanylphenyl)acetamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-(4-sulfanylphenyl)acetamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-(4-sulfanylphenyl)acetamide is CCN(CC(=O)N(C)C)C(=O)Cc1ccc(S)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-(4-sulfanylphenyl)acetamide?
The InChIKey is FQLMEBNUJATWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-4-16(10-14(18)15(2)3)13(17)9-11-5-7-12(19)8-6-11/h5-8,19H,4,9-10H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-(4-sulfanylphenyl)acetamide?
N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-(4-sulfanylphenyl)acetamide has a molecular weight of 280.39 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-(4-sulfanylphenyl)acetamide is sourced from PubChem (CID 107024826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).