6-[ethyl(propyl)amino]sulfanyl-N-hydroxy-2,3-dimethoxybenzamide

C14H22N2O4S — CID 142096155

IUPAC6-[ethyl(propyl)amino]sulfanyl-N-hydroxy-2,3-dimethoxybenzamide
SMILESCCCN(CC)Sc1ccc(OC)c(OC)c1C(=O)NO
InChIInChI=1S/C14H22N2O4S/c1-5-9-16(6-2)21-11-8-7-10(19-3)13(20-4)12(11)14(17)15-18/h7-8,18H,5-6,9H2,1-4H3,(H,15,17)
InChIKeyHTULPRWIVCKCEK-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.56
Rot. Bonds8

About 6-[ethyl(propyl)amino]sulfanyl-N-hydroxy-2,3-dimethoxybenzamide

6-[ethyl(propyl)amino]sulfanyl-N-hydroxy-2,3-dimethoxybenzamide (PubChem CID 142096155) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 6-[ethyl(propyl)amino]sulfanyl-N-hydroxy-2,3-dimethoxybenzamide.

Molecular Properties

Compound Name6-[ethyl(propyl)amino]sulfanyl-N-hydroxy-2,3-dimethoxybenzamide
PubChem CID142096155
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name6-[ethyl(propyl)amino]sulfanyl-N-hydroxy-2,3-dimethoxybenzamide
SMILESCCCN(CC)Sc1ccc(OC)c(OC)c1C(=O)NO
InChIInChI=1S/C14H22N2O4S/c1-5-9-16(6-2)21-11-8-7-10(19-3)13(20-4)12(11)14(17)15-18/h7-8,18H,5-6,9H2,1-4H3,(H,15,17)
InChIKeyHTULPRWIVCKCEK-UHFFFAOYSA-N
XLogP2.56
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy-2,3-dimethoxy-6-[propyl-[3-[4-(trifluoromethoxy)phenoxy]butyl]amino]sulfanylbenzamide
CID 142096237
N-hydroxy-2,3-dimethoxy-6-(4-phenylsulfanylpiperidin-1-yl)sulfanylbenzamide
CID 142028138
3-bromo-N-ethyl-4-methoxy-N-propylbenzamide
CID 60738275
lithium 2-methylpropyl-(2,3,6-trimethoxybenzoyl)phosphanide
CID 141023181
N-hydroxy-2,3-dimethoxy-6-piperazin-1-ylsulfonylbenzamide
CID 20626166
6-bromo-2,3-dimethoxybenzoic acid
CID 11054430
dimethyl 3,4-dimethoxybenzene-1,2-dicarboxylate
CID 16637829
3-[(2-bromo-3,4-dimethoxyphenyl)methyl-methylamino]propanoic acid;hydrochloride
CID 119912182
3-(dimethylamino)-3-(2,3,4-trimethoxyphenyl)propanoic acid
CID 64528349
(2-ethyl-3,4-dimethoxyphenyl)sulfanyl acetate
CID 175747289
ethyl 2-hydroxy-2-(2,3,6-trimethoxyphenyl)acetate
CID 117428823
methyl 2-(2,3,6-trimethoxybenzoyl)benzoate
CID 10640148

Frequently Asked Questions

What is the IUPAC name of 6-[ethyl(propyl)amino]sulfanyl-N-hydroxy-2,3-dimethoxybenzamide?
The IUPAC name of 6-[ethyl(propyl)amino]sulfanyl-N-hydroxy-2,3-dimethoxybenzamide (CID 142096155) is 6-[ethyl(propyl)amino]sulfanyl-N-hydroxy-2,3-dimethoxybenzamide.
What is the SMILES notation for 6-[ethyl(propyl)amino]sulfanyl-N-hydroxy-2,3-dimethoxybenzamide?
The canonical SMILES for 6-[ethyl(propyl)amino]sulfanyl-N-hydroxy-2,3-dimethoxybenzamide is CCCN(CC)Sc1ccc(OC)c(OC)c1C(=O)NO.
What is the InChIKey of 6-[ethyl(propyl)amino]sulfanyl-N-hydroxy-2,3-dimethoxybenzamide?
The InChIKey is HTULPRWIVCKCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-5-9-16(6-2)21-11-8-7-10(19-3)13(20-4)12(11)14(17)15-18/h7-8,18H,5-6,9H2,1-4H3,(H,15,17).
What are the key properties of 6-[ethyl(propyl)amino]sulfanyl-N-hydroxy-2,3-dimethoxybenzamide?
6-[ethyl(propyl)amino]sulfanyl-N-hydroxy-2,3-dimethoxybenzamide has a molecular weight of 314.41 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl(propyl)amino]sulfanyl-N-hydroxy-2,3-dimethoxybenzamide is sourced from PubChem (CID 142096155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).