N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-methylthiophene-3-carboxamide

C17H17N3O4S2 — CID 1245720

IUPACN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-methylthiophene-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cs1
InChIInChI=1S/C17H17N3O4S2/c1-10-8-13(9-25-10)16(21)18-14-4-6-15(7-5-14)26(22,23)20-17-11(2)12(3)19-24-17/h4-9,20H,1-3H3,(H,18,21)
InChIKeyXQDRXPOOTLQAJA-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.71
Rot. Bonds5

About N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-methylthiophene-3-carboxamide

N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-methylthiophene-3-carboxamide (PubChem CID 1245720) has the molecular formula C17H17N3O4S2 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-methylthiophene-3-carboxamide
PubChem CID1245720
Molecular FormulaC17H17N3O4S2
Molecular Weight391.47 g/mol
Exact Mass391.07
IUPAC NameN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-methylthiophene-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cs1
InChIInChI=1S/C17H17N3O4S2/c1-10-8-13(9-25-10)16(21)18-14-4-6-15(7-5-14)26(22,23)20-17-11(2)12(3)19-24-17/h4-9,20H,1-3H3,(H,18,21)
InChIKeyXQDRXPOOTLQAJA-UHFFFAOYSA-N
XLogP3.71
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-methylthiophene-3-carboxamide?
The IUPAC name of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-methylthiophene-3-carboxamide (CID 1245720) is N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-methylthiophene-3-carboxamide.
What is the SMILES notation for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-methylthiophene-3-carboxamide?
The canonical SMILES for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-methylthiophene-3-carboxamide is Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cs1.
What is the InChIKey of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-methylthiophene-3-carboxamide?
The InChIKey is XQDRXPOOTLQAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S2/c1-10-8-13(9-25-10)16(21)18-14-4-6-15(7-5-14)26(22,23)20-17-11(2)12(3)19-24-17/h4-9,20H,1-3H3,(H,18,21).
What are the key properties of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-methylthiophene-3-carboxamide?
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-methylthiophene-3-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-methylthiophene-3-carboxamide is sourced from PubChem (CID 1245720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).