2-amino-3-[2-(diethylamino)-2-oxoethyl]sulfanylbenzamide

C13H19N3O2S — CID 114234242

IUPAC2-amino-3-[2-(diethylamino)-2-oxoethyl]sulfanylbenzamide
SMILESCCN(CC)C(=O)CSc1cccc(C(N)=O)c1N
InChIInChI=1S/C13H19N3O2S/c1-3-16(4-2)11(17)8-19-10-7-5-6-9(12(10)14)13(15)18/h5-7H,3-4,8,14H2,1-2H3,(H2,15,18)
InChIKeyWKUQCCCJHPTFPE-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.33
Rot. Bonds6

About 2-amino-3-[2-(diethylamino)-2-oxoethyl]sulfanylbenzamide

2-amino-3-[2-(diethylamino)-2-oxoethyl]sulfanylbenzamide (PubChem CID 114234242) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-amino-3-[2-(diethylamino)-2-oxoethyl]sulfanylbenzamide.

Molecular Properties

Compound Name2-amino-3-[2-(diethylamino)-2-oxoethyl]sulfanylbenzamide
PubChem CID114234242
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name2-amino-3-[2-(diethylamino)-2-oxoethyl]sulfanylbenzamide
SMILESCCN(CC)C(=O)CSc1cccc(C(N)=O)c1N
InChIInChI=1S/C13H19N3O2S/c1-3-16(4-2)11(17)8-19-10-7-5-6-9(12(10)14)13(15)18/h5-7H,3-4,8,14H2,1-2H3,(H2,15,18)
InChIKeyWKUQCCCJHPTFPE-UHFFFAOYSA-N
XLogP1.33
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-[[2-(diethylamino)-2-oxoethyl]-methylamino]benzamide
CID 115545191
N,N-diethyl-2-(2-fluorophenyl)sulfanylacetamide
CID 60623990
2-amino-3-methylsulfanylbenzamide
CID 115547557
2-amino-3-(3-hydroxypropylsulfanyl)benzamide
CID 115547680
2-amino-3-benzylsulfanylbenzamide
CID 113333393
2-(2-amino-4-iodophenyl)sulfanyl-N,N-diethylacetamide
CID 114233313
2-(2-amino-4-bromophenyl)sulfanyl-N,N-diethylacetamide
CID 43306118
methyl 3-(2-amino-3-carbamoylphenyl)sulfanylpropanoate
CID 115547531
2-[2-[benzyl(ethyl)amino]-2-oxoethyl]sulfanylbenzoic acid
CID 2361989
2-amino-3-(cyclopentylmethylsulfanyl)benzamide
CID 115547631
2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N,N-diethylacetamide
CID 43247403
2-(2-amino-4,5-difluorophenyl)sulfanyl-N,N-diethylacetamide
CID 112751943

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-(diethylamino)-2-oxoethyl]sulfanylbenzamide?
The IUPAC name of 2-amino-3-[2-(diethylamino)-2-oxoethyl]sulfanylbenzamide (CID 114234242) is 2-amino-3-[2-(diethylamino)-2-oxoethyl]sulfanylbenzamide.
What is the SMILES notation for 2-amino-3-[2-(diethylamino)-2-oxoethyl]sulfanylbenzamide?
The canonical SMILES for 2-amino-3-[2-(diethylamino)-2-oxoethyl]sulfanylbenzamide is CCN(CC)C(=O)CSc1cccc(C(N)=O)c1N.
What is the InChIKey of 2-amino-3-[2-(diethylamino)-2-oxoethyl]sulfanylbenzamide?
The InChIKey is WKUQCCCJHPTFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-3-16(4-2)11(17)8-19-10-7-5-6-9(12(10)14)13(15)18/h5-7H,3-4,8,14H2,1-2H3,(H2,15,18).
What are the key properties of 2-amino-3-[2-(diethylamino)-2-oxoethyl]sulfanylbenzamide?
2-amino-3-[2-(diethylamino)-2-oxoethyl]sulfanylbenzamide has a molecular weight of 281.38 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-(diethylamino)-2-oxoethyl]sulfanylbenzamide is sourced from PubChem (CID 114234242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).