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

C17H18N2O3S2 — CID 20936311

IUPACN-(3,4-dimethylphenyl)-N-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
SMILESCc1cc(-c2ccc(S(=O)(=O)N(C)c3ccc(C)c(C)c3)s2)on1
InChIInChI=1S/C17H18N2O3S2/c1-11-5-6-14(9-12(11)2)19(4)24(20,21)17-8-7-16(23-17)15-10-13(3)18-22-15/h5-10H,1-4H3
InChIKeyRUAZACKUJWWXFQ-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.15
Rot. Bonds4

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

N-(3,4-dimethylphenyl)-N-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide (PubChem CID 20936311) has the molecular formula C17H18N2O3S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-N-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-N-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
PubChem CID20936311
Molecular FormulaC17H18N2O3S2
Molecular Weight362.48 g/mol
Exact Mass362.08
IUPAC NameN-(3,4-dimethylphenyl)-N-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
SMILESCc1cc(-c2ccc(S(=O)(=O)N(C)c3ccc(C)c(C)c3)s2)on1
InChIInChI=1S/C17H18N2O3S2/c1-11-5-6-14(9-12(11)2)19(4)24(20,21)17-8-7-16(23-17)15-10-13(3)18-22-15/h5-10H,1-4H3
InChIKeyRUAZACKUJWWXFQ-UHFFFAOYSA-N
XLogP4.15
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-N-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(3,4-dimethylphenyl)-N-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide (CID 20936311) is N-(3,4-dimethylphenyl)-N-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-N-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-N-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide is Cc1cc(-c2ccc(S(=O)(=O)N(C)c3ccc(C)c(C)c3)s2)on1.
What is the InChIKey of N-(3,4-dimethylphenyl)-N-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide?
The InChIKey is RUAZACKUJWWXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S2/c1-11-5-6-14(9-12(11)2)19(4)24(20,21)17-8-7-16(23-17)15-10-13(3)18-22-15/h5-10H,1-4H3.
What are the key properties of N-(3,4-dimethylphenyl)-N-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide?
N-(3,4-dimethylphenyl)-N-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide has a molecular weight of 362.48 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-N-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 20936311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).