N-[4-(dimethylamino)phenyl]-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylacetamide

C20H25N3O3S — CID 1412036

IUPACN-[4-(dimethylamino)phenyl]-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylacetamide
SMILESCCOc1ccccc1NC(=O)CSCC(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C20H25N3O3S/c1-4-26-18-8-6-5-7-17(18)22-20(25)14-27-13-19(24)21-15-9-11-16(12-10-15)23(2)3/h5-12H,4,13-14H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyDAZYLTVRBZODFV-UHFFFAOYSA-N
MW387.51 g/mol
LogP3.46
Rot. Bonds9

About N-[4-(dimethylamino)phenyl]-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylacetamide

N-[4-(dimethylamino)phenyl]-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylacetamide (PubChem CID 1412036) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylacetamide
PubChem CID1412036
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN-[4-(dimethylamino)phenyl]-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylacetamide
SMILESCCOc1ccccc1NC(=O)CSCC(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C20H25N3O3S/c1-4-26-18-8-6-5-7-17(18)22-20(25)14-27-13-19(24)21-15-9-11-16(12-10-15)23(2)3/h5-12H,4,13-14H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyDAZYLTVRBZODFV-UHFFFAOYSA-N
XLogP3.46
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(dimethylamino)phenyl]-N'-(2-ethoxyphenyl)oxamide
CID 45001237
1-[4-(dimethylamino)phenyl]-3-(2-ethoxyphenyl)urea
CID 108894849
2-[2-(2-bromoanilino)-2-oxoethyl]sulfanyl-N-(2-ethoxyphenyl)acetamide
CID 40913778
N-[4-(dimethylamino)phenyl]-N'-(2-methoxyphenyl)propanediamide
CID 108955540
N-(4-methylphenyl)-2-[2-oxo-2-(2-propoxyanilino)ethyl]sulfanylacetamide
CID 34345609
2-(2-bromoethylsulfanyl)-N-(2-ethoxyphenyl)acetamide
CID 92936508
3-[4-(diethylamino)anilino]-N-(2-ethoxyphenyl)propanamide
CID 109039756
N-(4-acetylphenyl)-N'-(2-ethoxyphenyl)propanediamide
CID 108955673
N-(2-ethoxyphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
CID 66102705
N-[4-(dimethylamino)phenyl]-2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 78797471
2-[(4-chlorophenyl)methylsulfanyl]-N-(2-ethoxyphenyl)acetamide
CID 2075755
4-[[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylmethyl]benzoic acid
CID 1412043

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylacetamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylacetamide (CID 1412036) is N-[4-(dimethylamino)phenyl]-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylacetamide is CCOc1ccccc1NC(=O)CSCC(=O)Nc1ccc(N(C)C)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylacetamide?
The InChIKey is DAZYLTVRBZODFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-4-26-18-8-6-5-7-17(18)22-20(25)14-27-13-19(24)21-15-9-11-16(12-10-15)23(2)3/h5-12H,4,13-14H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of N-[4-(dimethylamino)phenyl]-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylacetamide?
N-[4-(dimethylamino)phenyl]-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylacetamide has a molecular weight of 387.51 g/mol, XLogP of 3.46, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 1412036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).