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

C17H17N3O3S2 — CID 53127384

IUPAC4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide
SMILESCc1ccccc1CNS(=O)(=O)c1cc(-c2nnc(C3CC3)o2)cs1
InChIInChI=1S/C17H17N3O3S2/c1-11-4-2-3-5-13(11)9-18-25(21,22)15-8-14(10-24-15)17-20-19-16(23-17)12-6-7-12/h2-5,8,10,12,18H,6-7,9H2,1H3
InChIKeySGHWFEQQSBDKDO-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.46
Rot. Bonds6

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

4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide (PubChem CID 53127384) has the molecular formula C17H17N3O3S2 and a molecular weight of 375.48 g/mol. Its IUPAC name is 4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide
PubChem CID53127384
Molecular FormulaC17H17N3O3S2
Molecular Weight375.48 g/mol
Exact Mass375.07
IUPAC Name4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide
SMILESCc1ccccc1CNS(=O)(=O)c1cc(-c2nnc(C3CC3)o2)cs1
InChIInChI=1S/C17H17N3O3S2/c1-11-4-2-3-5-13(11)9-18-25(21,22)15-8-14(10-24-15)17-20-19-16(23-17)12-6-7-12/h2-5,8,10,12,18H,6-7,9H2,1H3
InChIKeySGHWFEQQSBDKDO-UHFFFAOYSA-N
XLogP3.46
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2,3-dimethylphenyl)thiophene-2-sulfonamide
CID 53127345
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide
CID 53126848
4-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 53127316
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 53068164
5-(2-cyclopropyl-1,3-oxazol-5-yl)-N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide
CID 53102953
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide
CID 53068205
4-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide
CID 53127292
4-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide
CID 53199696
N-cycloheptyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide
CID 53127206
N-[(2-chlorophenyl)methyl]-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 53134876
4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2,6-dimethylphenyl)thiophene-2-sulfonamide
CID 53042747
methyl 4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-methylbenzoate
CID 162060001

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide (CID 53127384) is 4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide is Cc1ccccc1CNS(=O)(=O)c1cc(-c2nnc(C3CC3)o2)cs1.
What is the InChIKey of 4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide?
The InChIKey is SGHWFEQQSBDKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S2/c1-11-4-2-3-5-13(11)9-18-25(21,22)15-8-14(10-24-15)17-20-19-16(23-17)12-6-7-12/h2-5,8,10,12,18H,6-7,9H2,1H3.
What are the key properties of 4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide?
4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide has a molecular weight of 375.48 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 53127384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).