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

C17H17N3O4S2 — CID 53068164

IUPAC5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide
SMILESCOc1ccccc1CNS(=O)(=O)c1ccc(-c2nnc(C3CC3)o2)s1
InChIInChI=1S/C17H17N3O4S2/c1-23-13-5-3-2-4-12(13)10-18-26(21,22)15-9-8-14(25-15)17-20-19-16(24-17)11-6-7-11/h2-5,8-9,11,18H,6-7,10H2,1H3
InChIKeyKGUMBRNSPAOGDO-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.16
Rot. Bonds7

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

5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide (PubChem CID 53068164) has the molecular formula C17H17N3O4S2 and a molecular weight of 391.47 g/mol. Its IUPAC name is 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide
PubChem CID53068164
Molecular FormulaC17H17N3O4S2
Molecular Weight391.47 g/mol
Exact Mass391.07
IUPAC Name5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide
SMILESCOc1ccccc1CNS(=O)(=O)c1ccc(-c2nnc(C3CC3)o2)s1
InChIInChI=1S/C17H17N3O4S2/c1-23-13-5-3-2-4-12(13)10-18-26(21,22)15-9-8-14(25-15)17-20-19-16(24-17)11-6-7-11/h2-5,8-9,11,18H,6-7,10H2,1H3
InChIKeyKGUMBRNSPAOGDO-UHFFFAOYSA-N
XLogP3.16
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 53068255
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide
CID 53068205
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(3-methoxyphenyl)thiophene-2-sulfonamide
CID 53068113
N-[(2-ethoxyphenyl)methyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide
CID 53068104
N-[(2-methoxyphenyl)methyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 53111981
5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-[(2-ethoxyphenyl)methyl]thiophene-2-sulfonamide
CID 53103065
5-(aminomethyl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 43332828
5-(2-cyclopropyl-1,3-oxazol-5-yl)-N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide
CID 53102953
4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide
CID 53127384
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]thiophene-2-sulfonamide
CID 95068298
2-chloro-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-5-sulfonamide
CID 43455847
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide
CID 53068184

Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide (CID 53068164) is 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide is COc1ccccc1CNS(=O)(=O)c1ccc(-c2nnc(C3CC3)o2)s1.
What is the InChIKey of 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide?
The InChIKey is KGUMBRNSPAOGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S2/c1-23-13-5-3-2-4-12(13)10-18-26(21,22)15-9-8-14(25-15)17-20-19-16(24-17)11-6-7-11/h2-5,8-9,11,18H,6-7,10H2,1H3.
What are the key properties of 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide?
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide has a molecular weight of 391.47 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 53068164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).