4-(3-methyl-1,2-oxazol-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-sulfonamide

C16H17N3O5S3 — CID 46393018

IUPAC4-(3-methyl-1,2-oxazol-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-sulfonamide
SMILESCc1cc(-c2csc(S(=O)(=O)NCCc3ccc(S(N)(=O)=O)cc3)c2)on1
InChIInChI=1S/C16H17N3O5S3/c1-11-8-15(24-19-11)13-9-16(25-10-13)27(22,23)18-7-6-12-2-4-14(5-3-12)26(17,20)21/h2-5,8-10,18H,6-7H2,1H3,(H2,17,20,21)
InChIKeyBMJQAPMKFNKTAZ-UHFFFAOYSA-N
MW427.53 g/mol
LogP1.88
Rot. Bonds7

About 4-(3-methyl-1,2-oxazol-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-sulfonamide

4-(3-methyl-1,2-oxazol-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-sulfonamide (PubChem CID 46393018) has the molecular formula C16H17N3O5S3 and a molecular weight of 427.53 g/mol. Its IUPAC name is 4-(3-methyl-1,2-oxazol-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(3-methyl-1,2-oxazol-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-sulfonamide
PubChem CID46393018
Molecular FormulaC16H17N3O5S3
Molecular Weight427.53 g/mol
Exact Mass427.03
IUPAC Name4-(3-methyl-1,2-oxazol-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-sulfonamide
SMILESCc1cc(-c2csc(S(=O)(=O)NCCc3ccc(S(N)(=O)=O)cc3)c2)on1
InChIInChI=1S/C16H17N3O5S3/c1-11-8-15(24-19-11)13-9-16(25-10-13)27(22,23)18-7-6-12-2-4-14(5-3-12)26(17,20)21/h2-5,8-10,18H,6-7H2,1H3,(H2,17,20,21)
InChIKeyBMJQAPMKFNKTAZ-UHFFFAOYSA-N
XLogP1.88
TPSA132.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-4-(5-ethyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide
CID 53127278
N-(3-bromophenyl)-4-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 50835152
4-(1,2-oxazol-5-yl)-N-(4-sulfamoylphenyl)thiophene-2-sulfonamide
CID 46393001
4-(4-methyl-1,3-thiazol-2-yl)-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide
CID 46394470
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-2-carboxamide
CID 110696130
4-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 2442104
4-amino-N-(2-pyridin-4-ylethyl)thiophene-2-sulfonamide
CID 61299000
5-(3-methyl-1,2-oxazol-5-yl)-N-(3-phenylpropyl)thiophene-2-sulfonamide
CID 20936205
4-(aminomethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiophene-2-sulfonamide
CID 106423719
2,5-dichloro-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-sulfonamide
CID 39792284
N-[2-(4-sulfamoylphenyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 18272294
5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-carboxamide
CID 1247099

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1,2-oxazol-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 4-(3-methyl-1,2-oxazol-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-sulfonamide (CID 46393018) is 4-(3-methyl-1,2-oxazol-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-(3-methyl-1,2-oxazol-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 4-(3-methyl-1,2-oxazol-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-sulfonamide is Cc1cc(-c2csc(S(=O)(=O)NCCc3ccc(S(N)(=O)=O)cc3)c2)on1.
What is the InChIKey of 4-(3-methyl-1,2-oxazol-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-sulfonamide?
The InChIKey is BMJQAPMKFNKTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5S3/c1-11-8-15(24-19-11)13-9-16(25-10-13)27(22,23)18-7-6-12-2-4-14(5-3-12)26(17,20)21/h2-5,8-10,18H,6-7H2,1H3,(H2,17,20,21).
What are the key properties of 4-(3-methyl-1,2-oxazol-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-sulfonamide?
4-(3-methyl-1,2-oxazol-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-sulfonamide has a molecular weight of 427.53 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1,2-oxazol-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 46393018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).