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

C16H16ClN3O3S2 — CID 53127278

IUPACN-[2-(4-chlorophenyl)ethyl]-4-(5-ethyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide
SMILESCCc1nnc(-c2csc(S(=O)(=O)NCCc3ccc(Cl)cc3)c2)o1
InChIInChI=1S/C16H16ClN3O3S2/c1-2-14-19-20-16(23-14)12-9-15(24-10-12)25(21,22)18-8-7-11-3-5-13(17)6-4-11/h3-6,9-10,18H,2,7-8H2,1H3
InChIKeyFQVUVQYXFGOJDK-UHFFFAOYSA-N
MW397.91 g/mol
LogP3.53
Rot. Bonds7

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

N-[2-(4-chlorophenyl)ethyl]-4-(5-ethyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide (PubChem CID 53127278) has the molecular formula C16H16ClN3O3S2 and a molecular weight of 397.91 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-4-(5-ethyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-4-(5-ethyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide
PubChem CID53127278
Molecular FormulaC16H16ClN3O3S2
Molecular Weight397.91 g/mol
Exact Mass397.03
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-4-(5-ethyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide
SMILESCCc1nnc(-c2csc(S(=O)(=O)NCCc3ccc(Cl)cc3)c2)o1
InChIInChI=1S/C16H16ClN3O3S2/c1-2-14-19-20-16(23-14)12-9-15(24-10-12)25(21,22)18-8-7-11-3-5-13(17)6-4-11/h3-6,9-10,18H,2,7-8H2,1H3
InChIKeyFQVUVQYXFGOJDK-UHFFFAOYSA-N
XLogP3.53
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide
CID 53127292
N-(3-chlorophenyl)-4-(5-ethyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide
CID 53127273
4-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide
CID 53199696
4-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 53127316
N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]thiophene-2-sulfonamide
CID 110321684
N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1-(4-methylphenyl)methanesulfonamide
CID 110321691
1-(4-chlorophenyl)-N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]methanesulfonamide
CID 110321497
N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-methylbenzenesulfonamide
CID 110321687
1-(4-chlorophenyl)-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide
CID 110320476
5-chloro-2-methoxy-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110320920
4-ethyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110320446
4-(3-methyl-1,2-oxazol-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-sulfonamide
CID 46393018

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-4-(5-ethyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-4-(5-ethyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide (CID 53127278) is N-[2-(4-chlorophenyl)ethyl]-4-(5-ethyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-4-(5-ethyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-4-(5-ethyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide is CCc1nnc(-c2csc(S(=O)(=O)NCCc3ccc(Cl)cc3)c2)o1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-4-(5-ethyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide?
The InChIKey is FQVUVQYXFGOJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3S2/c1-2-14-19-20-16(23-14)12-9-15(24-10-12)25(21,22)18-8-7-11-3-5-13(17)6-4-11/h3-6,9-10,18H,2,7-8H2,1H3.
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-4-(5-ethyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide?
N-[2-(4-chlorophenyl)ethyl]-4-(5-ethyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide has a molecular weight of 397.91 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-4-(5-ethyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 53127278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).