N-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(4-methylphenyl)thiophene-2-sulfonamide

C16H16N2O3S2 — CID 20936282

IUPACN-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(4-methylphenyl)thiophene-2-sulfonamide
SMILESCc1ccc(N(C)S(=O)(=O)c2ccc(-c3cc(C)no3)s2)cc1
InChIInChI=1S/C16H16N2O3S2/c1-11-4-6-13(7-5-11)18(3)23(19,20)16-9-8-15(22-16)14-10-12(2)17-21-14/h4-10H,1-3H3
InChIKeyKFQGVTTYAIJWSG-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.85
Rot. Bonds4

About N-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(4-methylphenyl)thiophene-2-sulfonamide

N-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(4-methylphenyl)thiophene-2-sulfonamide (PubChem CID 20936282) has the molecular formula C16H16N2O3S2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(4-methylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(4-methylphenyl)thiophene-2-sulfonamide
PubChem CID20936282
Molecular FormulaC16H16N2O3S2
Molecular Weight348.45 g/mol
Exact Mass348.06
IUPAC NameN-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(4-methylphenyl)thiophene-2-sulfonamide
SMILESCc1ccc(N(C)S(=O)(=O)c2ccc(-c3cc(C)no3)s2)cc1
InChIInChI=1S/C16H16N2O3S2/c1-11-4-6-13(7-5-11)18(3)23(19,20)16-9-8-15(22-16)14-10-12(2)17-21-14/h4-10H,1-3H3
InChIKeyKFQGVTTYAIJWSG-UHFFFAOYSA-N
XLogP3.85
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(4-methylphenyl)thiophene-2-sulfonamide?
The IUPAC name of N-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(4-methylphenyl)thiophene-2-sulfonamide (CID 20936282) is N-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(4-methylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(4-methylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for N-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(4-methylphenyl)thiophene-2-sulfonamide is Cc1ccc(N(C)S(=O)(=O)c2ccc(-c3cc(C)no3)s2)cc1.
What is the InChIKey of N-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(4-methylphenyl)thiophene-2-sulfonamide?
The InChIKey is KFQGVTTYAIJWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S2/c1-11-4-6-13(7-5-11)18(3)23(19,20)16-9-8-15(22-16)14-10-12(2)17-21-14/h4-10H,1-3H3.
What are the key properties of N-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(4-methylphenyl)thiophene-2-sulfonamide?
N-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(4-methylphenyl)thiophene-2-sulfonamide has a molecular weight of 348.45 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(4-methylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 20936282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).