N-[(2-ethoxyphenyl)methyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide

C16H17N3O4S2 — CID 53068104

IUPACN-[(2-ethoxyphenyl)methyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide
SMILESCCOc1ccccc1CNS(=O)(=O)c1ccc(-c2nnc(C)o2)s1
InChIInChI=1S/C16H17N3O4S2/c1-3-22-13-7-5-4-6-12(13)10-17-25(20,21)15-9-8-14(24-15)16-19-18-11(2)23-16/h4-9,17H,3,10H2,1-2H3
InChIKeyCSWGZLIPJBLELL-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.98
Rot. Bonds7

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

N-[(2-ethoxyphenyl)methyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide (PubChem CID 53068104) has the molecular formula C16H17N3O4S2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide
PubChem CID53068104
Molecular FormulaC16H17N3O4S2
Molecular Weight379.46 g/mol
Exact Mass379.07
IUPAC NameN-[(2-ethoxyphenyl)methyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide
SMILESCCOc1ccccc1CNS(=O)(=O)c1ccc(-c2nnc(C)o2)s1
InChIInChI=1S/C16H17N3O4S2/c1-3-22-13-7-5-4-6-12(13)10-17-25(20,21)15-9-8-14(24-15)16-19-18-11(2)23-16/h4-9,17H,3,10H2,1-2H3
InChIKeyCSWGZLIPJBLELL-UHFFFAOYSA-N
XLogP2.98
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-ethylphenyl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide
CID 53068035
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 53068164
5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-[(2-ethoxyphenyl)methyl]thiophene-2-sulfonamide
CID 53103065
N-[(2-methoxyphenyl)methyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 53111981
N-[(2-ethoxyphenyl)methyl]pyridine-3-sulfonamide
CID 25045130
5-(aminomethyl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 43332828
4-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 53127316
2,4-dichloro-N-[(2-ethoxyphenyl)methyl]benzenesulfonamide
CID 3832816
2-chloro-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-5-sulfonamide
CID 43455847
5-(2-cyclopropyl-1,3-oxazol-5-yl)-N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide
CID 53102953
N-(2-ethoxyphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936262
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide
CID 53068205

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide (CID 53068104) is N-[(2-ethoxyphenyl)methyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide is CCOc1ccccc1CNS(=O)(=O)c1ccc(-c2nnc(C)o2)s1.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide?
The InChIKey is CSWGZLIPJBLELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S2/c1-3-22-13-7-5-4-6-12(13)10-17-25(20,21)15-9-8-14(24-15)16-19-18-11(2)23-16/h4-9,17H,3,10H2,1-2H3.
What are the key properties of N-[(2-ethoxyphenyl)methyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide?
N-[(2-ethoxyphenyl)methyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide has a molecular weight of 379.46 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 53068104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).