N-(1,3-benzodioxol-5-yl)-5-(2-ethyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide

C16H14N2O5S2 — CID 169284611

IUPACN-(1,3-benzodioxol-5-yl)-5-(2-ethyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide
SMILESCCc1ncc(-c2ccc(S(=O)(=O)Nc3ccc4c(c3)OCO4)s2)o1
InChIInChI=1S/C16H14N2O5S2/c1-2-15-17-8-13(23-15)14-5-6-16(24-14)25(19,20)18-10-3-4-11-12(7-10)22-9-21-11/h3-8,18H,2,9H2,1H3
InChIKeyOXRVQQBVECRLRU-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.49
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-5-(2-ethyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide

N-(1,3-benzodioxol-5-yl)-5-(2-ethyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide (PubChem CID 169284611) has the molecular formula C16H14N2O5S2 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-5-(2-ethyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-5-(2-ethyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide
PubChem CID169284611
Molecular FormulaC16H14N2O5S2
Molecular Weight378.43 g/mol
Exact Mass378.03
IUPAC NameN-(1,3-benzodioxol-5-yl)-5-(2-ethyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide
SMILESCCc1ncc(-c2ccc(S(=O)(=O)Nc3ccc4c(c3)OCO4)s2)o1
InChIInChI=1S/C16H14N2O5S2/c1-2-15-17-8-13(23-15)14-5-6-16(24-14)25(19,20)18-10-3-4-11-12(7-10)22-9-21-11/h3-8,18H,2,9H2,1H3
InChIKeyOXRVQQBVECRLRU-UHFFFAOYSA-N
XLogP3.49
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2H-1,3-Benzodioxol-5-YL)-4-(2-cyclopropyl-1,3-oxazol-5-YL)benzene-1-sulfonamide
CID 20959092
5-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(4-methoxyphenyl)thiophene-2-sulfonamide
CID 53102873
N-[(2H-1,3-Benzodioxol-5-YL)methyl]-5-(2-cyclobutyl-1,3-oxazol-5-YL)thiophene-2-sulfonamide
CID 53102994
5-(2-methyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide
CID 53102847
5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide
CID 53103050
5-(2-cyclopropyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide
CID 53102943
5-(2-cyclopentyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide
CID 53103164
2-fluoro-4,5-dimethoxy-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]aniline
CID 71985209
N-(2H-1,3-Benzodioxol-5-YL)-4-(2-methyl-1,3-oxazol-5-YL)benzene-1-sulfonamide
CID 20958832
N-(2H-1,3-Benzodioxol-5-YL)-2-methyl-5-(2-methyl-1,3-oxazol-5-YL)benzene-1-sulfonamide
CID 20958946
N-(2H-1,3-Benzodioxol-5-YL)-5-(5-methylthiophen-2-YL)-1,3-oxazole-4-carboxamide
CID 46347273
N-(3,4-dimethoxyphenyl)-5-(2-methyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide
CID 53102768

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-5-(2-ethyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-5-(2-ethyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide (CID 169284611) is N-(1,3-benzodioxol-5-yl)-5-(2-ethyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-5-(2-ethyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-5-(2-ethyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide is CCc1ncc(-c2ccc(S(=O)(=O)Nc3ccc4c(c3)OCO4)s2)o1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-5-(2-ethyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide?
The InChIKey is OXRVQQBVECRLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O5S2/c1-2-15-17-8-13(23-15)14-5-6-16(24-14)25(19,20)18-10-3-4-11-12(7-10)22-9-21-11/h3-8,18H,2,9H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-yl)-5-(2-ethyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide?
N-(1,3-benzodioxol-5-yl)-5-(2-ethyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide has a molecular weight of 378.43 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-5-(2-ethyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 169284611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).