N-(2-amino-2-oxoethoxy)-4-(methylsulfanylmethyl)benzamide

C11H14N2O3S — CID 112550855

IUPACN-(2-amino-2-oxoethoxy)-4-(methylsulfanylmethyl)benzamide
SMILESCSCc1ccc(C(=O)NOCC(N)=O)cc1
InChIInChI=1S/C11H14N2O3S/c1-17-7-8-2-4-9(5-3-8)11(15)13-16-6-10(12)14/h2-5H,6-7H2,1H3,(H2,12,14)(H,13,15)
InChIKeyUSUMNLSCHNEICD-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.70
Rot. Bonds6

About N-(2-amino-2-oxoethoxy)-4-(methylsulfanylmethyl)benzamide

N-(2-amino-2-oxoethoxy)-4-(methylsulfanylmethyl)benzamide (PubChem CID 112550855) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is N-(2-amino-2-oxoethoxy)-4-(methylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethoxy)-4-(methylsulfanylmethyl)benzamide
PubChem CID112550855
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC NameN-(2-amino-2-oxoethoxy)-4-(methylsulfanylmethyl)benzamide
SMILESCSCc1ccc(C(=O)NOCC(N)=O)cc1
InChIInChI=1S/C11H14N2O3S/c1-17-7-8-2-4-9(5-3-8)11(15)13-16-6-10(12)14/h2-5H,6-7H2,1H3,(H2,12,14)(H,13,15)
InChIKeyUSUMNLSCHNEICD-UHFFFAOYSA-N
XLogP0.70
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-oxoethoxy)-4-hydroxy-3-methylbenzamide
CID 103958323
4-amino-N-(2-amino-2-oxoethoxy)-3-bromobenzamide
CID 112674135
N'-(4-ethoxybenzoyl)-4-(methylsulfanylmethyl)benzohydrazide
CID 7979451
methyl 4-methyl-2-[[4-(methylsulfanylmethyl)benzoyl]amino]pentanoate
CID 43404300
N-(4-hydroxyphenyl)-4-(methylsulfanylmethyl)benzamide
CID 51193769
N-benzyl-4-(methylsulfanylmethyl)benzamide
CID 2542193
N-(2-amino-2-oxoethoxy)-3-bromo-4-methoxybenzamide
CID 112550861
N-(2-amino-2-oxoethoxy)-6-methoxypyridine-3-carboxamide
CID 112550755
3,5-dimethoxy-N'-[4-(methylsulfanylmethyl)benzoyl]benzohydrazide
CID 7479678
N-(2-amino-2-oxoethoxy)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 112550534
3-(methylsulfanylmethyl)-N-phenylmethoxybenzamide
CID 30796114
4-(methylsulfanylmethyl)-N'-(2-phenylacetyl)benzohydrazide
CID 24536163

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethoxy)-4-(methylsulfanylmethyl)benzamide?
The IUPAC name of N-(2-amino-2-oxoethoxy)-4-(methylsulfanylmethyl)benzamide (CID 112550855) is N-(2-amino-2-oxoethoxy)-4-(methylsulfanylmethyl)benzamide.
What is the SMILES notation for N-(2-amino-2-oxoethoxy)-4-(methylsulfanylmethyl)benzamide?
The canonical SMILES for N-(2-amino-2-oxoethoxy)-4-(methylsulfanylmethyl)benzamide is CSCc1ccc(C(=O)NOCC(N)=O)cc1.
What is the InChIKey of N-(2-amino-2-oxoethoxy)-4-(methylsulfanylmethyl)benzamide?
The InChIKey is USUMNLSCHNEICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-17-7-8-2-4-9(5-3-8)11(15)13-16-6-10(12)14/h2-5H,6-7H2,1H3,(H2,12,14)(H,13,15).
What are the key properties of N-(2-amino-2-oxoethoxy)-4-(methylsulfanylmethyl)benzamide?
N-(2-amino-2-oxoethoxy)-4-(methylsulfanylmethyl)benzamide has a molecular weight of 254.31 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethoxy)-4-(methylsulfanylmethyl)benzamide is sourced from PubChem (CID 112550855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).