ethyl N-[2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetyl]carbamate

C12H17N3O6S — CID 7828927

IUPACethyl N-[2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetyl]carbamate
SMILESCCOC(=O)NC(=O)Cn1cc(S(=O)(=O)N(C)C)ccc1=O
InChIInChI=1S/C12H17N3O6S/c1-4-21-12(18)13-10(16)8-15-7-9(5-6-11(15)17)22(19,20)14(2)3/h5-7H,4,8H2,1-3H3,(H,13,16,18)
InChIKeyHLQXEGBBZCUZPJ-UHFFFAOYSA-N
MW331.35 g/mol
LogP-0.63
Rot. Bonds5

About ethyl N-[2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetyl]carbamate

ethyl N-[2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetyl]carbamate (PubChem CID 7828927) has the molecular formula C12H17N3O6S and a molecular weight of 331.35 g/mol. Its IUPAC name is ethyl N-[2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetyl]carbamate
PubChem CID7828927
Molecular FormulaC12H17N3O6S
Molecular Weight331.35 g/mol
Exact Mass331.08
IUPAC Nameethyl N-[2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetyl]carbamate
SMILESCCOC(=O)NC(=O)Cn1cc(S(=O)(=O)N(C)C)ccc1=O
InChIInChI=1S/C12H17N3O6S/c1-4-21-12(18)13-10(16)8-15-7-9(5-6-11(15)17)22(19,20)14(2)3/h5-7H,4,8H2,1-3H3,(H,13,16,18)
InChIKeyHLQXEGBBZCUZPJ-UHFFFAOYSA-N
XLogP-0.63
TPSA114.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2-methoxyethyl)acetamide
CID 7252293
ethyl N-[2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetyl]carbamate
CID 7252300
2-[5-(Diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
CID 7252304
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-propan-2-ylacetamide
CID 7768188
N-tert-butyl-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
CID 7768191
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-propylacetamide
CID 7768199
2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-propan-2-ylacetamide
CID 7828893
N-tert-butyl-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
CID 7828898
N-butyl-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
CID 7828899
2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(3-methoxypropyl)acetamide
CID 7828900
2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-methylacetamide
CID 7828902
2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-propylacetamide
CID 7828914

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetyl]carbamate?
The IUPAC name of ethyl N-[2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetyl]carbamate (CID 7828927) is ethyl N-[2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetyl]carbamate.
What is the SMILES notation for ethyl N-[2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetyl]carbamate?
The canonical SMILES for ethyl N-[2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetyl]carbamate is CCOC(=O)NC(=O)Cn1cc(S(=O)(=O)N(C)C)ccc1=O.
What is the InChIKey of ethyl N-[2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetyl]carbamate?
The InChIKey is HLQXEGBBZCUZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O6S/c1-4-21-12(18)13-10(16)8-15-7-9(5-6-11(15)17)22(19,20)14(2)3/h5-7H,4,8H2,1-3H3,(H,13,16,18).
What are the key properties of ethyl N-[2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetyl]carbamate?
ethyl N-[2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetyl]carbamate has a molecular weight of 331.35 g/mol, XLogP of -0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetyl]carbamate is sourced from PubChem (CID 7828927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).