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

C17H18N2O4S2 — CID 53112099

IUPAC5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-sulfonamide
SMILESCOc1cccc(CNS(=O)(=O)c2ccc(-c3onc(C)c3C)s2)c1
InChIInChI=1S/C17H18N2O4S2/c1-11-12(2)19-23-17(11)15-7-8-16(24-15)25(20,21)18-10-13-5-4-6-14(9-13)22-3/h4-9,18H,10H2,1-3H3
InChIKeyIQAHMVJCQMTOCE-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.51
Rot. Bonds6

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

5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-sulfonamide (PubChem CID 53112099) has the molecular formula C17H18N2O4S2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-sulfonamide
PubChem CID53112099
Molecular FormulaC17H18N2O4S2
Molecular Weight378.48 g/mol
Exact Mass378.07
IUPAC Name5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-sulfonamide
SMILESCOc1cccc(CNS(=O)(=O)c2ccc(-c3onc(C)c3C)s2)c1
InChIInChI=1S/C17H18N2O4S2/c1-11-12(2)19-23-17(11)15-7-8-16(24-15)25(20,21)18-10-13-5-4-6-14(9-13)22-3/h4-9,18H,10H2,1-3H3
InChIKeyIQAHMVJCQMTOCE-UHFFFAOYSA-N
XLogP3.51
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-sulfonamide (CID 53112099) is 5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-sulfonamide is COc1cccc(CNS(=O)(=O)c2ccc(-c3onc(C)c3C)s2)c1.
What is the InChIKey of 5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-sulfonamide?
The InChIKey is IQAHMVJCQMTOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S2/c1-11-12(2)19-23-17(11)15-7-8-16(24-15)25(20,21)18-10-13-5-4-6-14(9-13)22-3/h4-9,18H,10H2,1-3H3.
What are the key properties of 5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-sulfonamide?
5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-sulfonamide has a molecular weight of 378.48 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 53112099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).