4-(2-methoxyethylsulfamoyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide

C13H17N3O5S2 — CID 6503042

IUPAC4-(2-methoxyethylsulfamoyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide
SMILESCOCCNS(=O)(=O)c1cc(C(=O)Nc2cc(C)on2)sc1C
InChIInChI=1S/C13H17N3O5S2/c1-8-6-12(16-21-8)15-13(17)10-7-11(9(2)22-10)23(18,19)14-4-5-20-3/h6-7,14H,4-5H2,1-3H3,(H,15,16,17)
InChIKeyBIFNDVKYQOOAOD-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.53
Rot. Bonds7

About 4-(2-methoxyethylsulfamoyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide

4-(2-methoxyethylsulfamoyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide (PubChem CID 6503042) has the molecular formula C13H17N3O5S2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-(2-methoxyethylsulfamoyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-(2-methoxyethylsulfamoyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide
PubChem CID6503042
Molecular FormulaC13H17N3O5S2
Molecular Weight359.43 g/mol
Exact Mass359.06
IUPAC Name4-(2-methoxyethylsulfamoyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide
SMILESCOCCNS(=O)(=O)c1cc(C(=O)Nc2cc(C)on2)sc1C
InChIInChI=1S/C13H17N3O5S2/c1-8-6-12(16-21-8)15-13(17)10-7-11(9(2)22-10)23(18,19)14-4-5-20-3/h6-7,14H,4-5H2,1-3H3,(H,15,16,17)
InChIKeyBIFNDVKYQOOAOD-UHFFFAOYSA-N
XLogP1.53
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(2-phenylethylsulfamoyl)thiophene-2-carboxamide
CID 6503048
5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide
CID 6503046
4-(dimethylsulfamoyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide
CID 6502660
4-[2-(2-methoxyethoxy)ethylsulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63329093
5-(2-methoxyethylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 109228004
4-methyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide
CID 110865517
2-methoxyethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium
CID 7391237
N-(5-methyl-1,2-oxazol-3-yl)-3-[(2-methylphenyl)sulfonylamino]propanamide
CID 110370453
1-[5-(2-methoxyethylsulfamoyl)-2-methylbenzoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 55572871
3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 110370450
4-[2-(methanesulfonamido)ethylsulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63328601
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110370292

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethylsulfamoyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide?
The IUPAC name of 4-(2-methoxyethylsulfamoyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide (CID 6503042) is 4-(2-methoxyethylsulfamoyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4-(2-methoxyethylsulfamoyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide?
The canonical SMILES for 4-(2-methoxyethylsulfamoyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide is COCCNS(=O)(=O)c1cc(C(=O)Nc2cc(C)on2)sc1C.
What is the InChIKey of 4-(2-methoxyethylsulfamoyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide?
The InChIKey is BIFNDVKYQOOAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5S2/c1-8-6-12(16-21-8)15-13(17)10-7-11(9(2)22-10)23(18,19)14-4-5-20-3/h6-7,14H,4-5H2,1-3H3,(H,15,16,17).
What are the key properties of 4-(2-methoxyethylsulfamoyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide?
4-(2-methoxyethylsulfamoyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethylsulfamoyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 6503042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).