N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-N-(5-methyl-2-pyridinyl)-3-sulfamoylthiophene-2-carboxamide

C15H13ClN4O4S2 — CID 67604527

IUPACN-(4-chloro-3-methyl-1,2-oxazol-5-yl)-N-(5-methyl-2-pyridinyl)-3-sulfamoylthiophene-2-carboxamide
SMILESCc1ccc(N(C(=O)c2sccc2S(N)(=O)=O)c2onc(C)c2Cl)nc1
InChIInChI=1S/C15H13ClN4O4S2/c1-8-3-4-11(18-7-8)20(15-12(16)9(2)19-24-15)14(21)13-10(5-6-25-13)26(17,22)23/h3-7H,1-2H3,(H2,17,22,23)
InChIKeyKCKBHJKXNYHHJX-UHFFFAOYSA-N
MW412.88 g/mol
LogP3.03
Rot. Bonds4

About N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-N-(5-methyl-2-pyridinyl)-3-sulfamoylthiophene-2-carboxamide

N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-N-(5-methyl-2-pyridinyl)-3-sulfamoylthiophene-2-carboxamide (PubChem CID 67604527) has the molecular formula C15H13ClN4O4S2 and a molecular weight of 412.88 g/mol. Its IUPAC name is N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-N-(5-methyl-2-pyridinyl)-3-sulfamoylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-methyl-1,2-oxazol-5-yl)-N-(5-methyl-2-pyridinyl)-3-sulfamoylthiophene-2-carboxamide
PubChem CID67604527
Molecular FormulaC15H13ClN4O4S2
Molecular Weight412.88 g/mol
Exact Mass412.01
IUPAC NameN-(4-chloro-3-methyl-1,2-oxazol-5-yl)-N-(5-methyl-2-pyridinyl)-3-sulfamoylthiophene-2-carboxamide
SMILESCc1ccc(N(C(=O)c2sccc2S(N)(=O)=O)c2onc(C)c2Cl)nc1
InChIInChI=1S/C15H13ClN4O4S2/c1-8-3-4-11(18-7-8)20(15-12(16)9(2)19-24-15)14(21)13-10(5-6-25-13)26(17,22)23/h3-7H,1-2H3,(H2,17,22,23)
InChIKeyKCKBHJKXNYHHJX-UHFFFAOYSA-N
XLogP3.03
TPSA119.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.88
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-N-(5-methyl-2-pyridinyl)-3-sulfamoylthiophene-2-carboxamide?
The IUPAC name of N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-N-(5-methyl-2-pyridinyl)-3-sulfamoylthiophene-2-carboxamide (CID 67604527) is N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-N-(5-methyl-2-pyridinyl)-3-sulfamoylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-N-(5-methyl-2-pyridinyl)-3-sulfamoylthiophene-2-carboxamide?
The canonical SMILES for N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-N-(5-methyl-2-pyridinyl)-3-sulfamoylthiophene-2-carboxamide is Cc1ccc(N(C(=O)c2sccc2S(N)(=O)=O)c2onc(C)c2Cl)nc1.
What is the InChIKey of N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-N-(5-methyl-2-pyridinyl)-3-sulfamoylthiophene-2-carboxamide?
The InChIKey is KCKBHJKXNYHHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O4S2/c1-8-3-4-11(18-7-8)20(15-12(16)9(2)19-24-15)14(21)13-10(5-6-25-13)26(17,22)23/h3-7H,1-2H3,(H2,17,22,23).
What are the key properties of N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-N-(5-methyl-2-pyridinyl)-3-sulfamoylthiophene-2-carboxamide?
N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-N-(5-methyl-2-pyridinyl)-3-sulfamoylthiophene-2-carboxamide has a molecular weight of 412.88 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-N-(5-methyl-2-pyridinyl)-3-sulfamoylthiophene-2-carboxamide is sourced from PubChem (CID 67604527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).