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

C17H18N2O4S2 — CID 20936313

IUPACN-ethyl-N-(4-methoxyphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
SMILESCCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(-c2cc(C)no2)s1
InChIInChI=1S/C17H18N2O4S2/c1-4-19(13-5-7-14(22-3)8-6-13)25(20,21)17-10-9-16(24-17)15-11-12(2)18-23-15/h5-11H,4H2,1-3H3
InChIKeyKZEBQYSMNLRCSM-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.94
Rot. Bonds6

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

N-ethyl-N-(4-methoxyphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide (PubChem CID 20936313) has the molecular formula C17H18N2O4S2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-ethyl-N-(4-methoxyphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(4-methoxyphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
PubChem CID20936313
Molecular FormulaC17H18N2O4S2
Molecular Weight378.48 g/mol
Exact Mass378.07
IUPAC NameN-ethyl-N-(4-methoxyphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
SMILESCCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(-c2cc(C)no2)s1
InChIInChI=1S/C17H18N2O4S2/c1-4-19(13-5-7-14(22-3)8-6-13)25(20,21)17-10-9-16(24-17)15-11-12(2)18-23-15/h5-11H,4H2,1-3H3
InChIKeyKZEBQYSMNLRCSM-UHFFFAOYSA-N
XLogP3.94
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-methoxyphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide?
The IUPAC name of N-ethyl-N-(4-methoxyphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide (CID 20936313) is N-ethyl-N-(4-methoxyphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-ethyl-N-(4-methoxyphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-ethyl-N-(4-methoxyphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide is CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(-c2cc(C)no2)s1.
What is the InChIKey of N-ethyl-N-(4-methoxyphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide?
The InChIKey is KZEBQYSMNLRCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S2/c1-4-19(13-5-7-14(22-3)8-6-13)25(20,21)17-10-9-16(24-17)15-11-12(2)18-23-15/h5-11H,4H2,1-3H3.
What are the key properties of N-ethyl-N-(4-methoxyphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide?
N-ethyl-N-(4-methoxyphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide has a molecular weight of 378.48 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-methoxyphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 20936313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).