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

C17H18N2O4S2 — CID 20936308

IUPACN-(4-ethoxyphenyl)-N-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
SMILESCCOc1ccc(N(C)S(=O)(=O)c2ccc(-c3cc(C)no3)s2)cc1
InChIInChI=1S/C17H18N2O4S2/c1-4-22-14-7-5-13(6-8-14)19(3)25(20,21)17-10-9-16(24-17)15-11-12(2)18-23-15/h5-11H,4H2,1-3H3
InChIKeyHYRXCDNDFOIUAR-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.94
Rot. Bonds6

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

N-(4-ethoxyphenyl)-N-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide (PubChem CID 20936308) has the molecular formula C17H18N2O4S2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-N-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-N-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
PubChem CID20936308
Molecular FormulaC17H18N2O4S2
Molecular Weight378.48 g/mol
Exact Mass378.07
IUPAC NameN-(4-ethoxyphenyl)-N-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
SMILESCCOc1ccc(N(C)S(=O)(=O)c2ccc(-c3cc(C)no3)s2)cc1
InChIInChI=1S/C17H18N2O4S2/c1-4-22-14-7-5-13(6-8-14)19(3)25(20,21)17-10-9-16(24-17)15-11-12(2)18-23-15/h5-11H,4H2,1-3H3
InChIKeyHYRXCDNDFOIUAR-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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Related Compounds

N~2~-ethyl-5-(3-methyl-5-isoxazolyl)-N~2~-phenyl-2-thiophenesulfonamide
CID 16024985
N-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(3-methylphenyl)thiophene-2-sulfonamide
CID 16025017
N-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(4-methylphenyl)thiophene-2-sulfonamide
CID 20936282
N-(2-ethylphenyl)-N-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936309
[4-[Benzenesulfonyl(methyl)amino]phenyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate
CID 24983015
1-(4-Methoxyphenyl)-4-({5-[5-(trifluoromethyl)-1,2-oxazol-3-YL]thiophen-2-YL}sulfonyl)piperazine
CID 16025248
2-{[(3,5-Dimethyl-4-isoxazolyl)sulfonyl]-4-ethoxyanilino}-N-(2-thienylmethyl)acetamide
CID 5309468
N-(4-ethoxyphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 16025005
N-(3-methoxyphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 16034722
1-(4-Methoxyphenyl)-4-{[5-(3-methyl-1,2-oxazol-5-YL)thiophen-2-YL]sulfonyl}piperazine
CID 20936269
N-(2-methoxyphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936290
N-ethyl-N-(4-methoxyphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936313

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-N-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(4-ethoxyphenyl)-N-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide (CID 20936308) is N-(4-ethoxyphenyl)-N-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-N-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(4-ethoxyphenyl)-N-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide is CCOc1ccc(N(C)S(=O)(=O)c2ccc(-c3cc(C)no3)s2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-N-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide?
The InChIKey is HYRXCDNDFOIUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S2/c1-4-22-14-7-5-13(6-8-14)19(3)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-(4-ethoxyphenyl)-N-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide?
N-(4-ethoxyphenyl)-N-methyl-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-(4-ethoxyphenyl)-N-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 20936308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).