N-(4-chloro-2-methylphenyl)-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide

C18H18ClN3O3S2 — CID 53042813

IUPACN-(4-chloro-2-methylphenyl)-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide
SMILESCc1cc(Cl)ccc1NS(=O)(=O)c1cc(-c2noc(C3CCCC3)n2)cs1
InChIInChI=1S/C18H18ClN3O3S2/c1-11-8-14(19)6-7-15(11)22-27(23,24)16-9-13(10-26-16)17-20-18(25-21-17)12-4-2-3-5-12/h6-10,12,22H,2-5H2,1H3
InChIKeyQTTVDBSYFHGNQM-UHFFFAOYSA-N
MW423.95 g/mol
LogP5.22
Rot. Bonds5

About N-(4-chloro-2-methylphenyl)-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide

N-(4-chloro-2-methylphenyl)-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide (PubChem CID 53042813) has the molecular formula C18H18ClN3O3S2 and a molecular weight of 423.95 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide
PubChem CID53042813
Molecular FormulaC18H18ClN3O3S2
Molecular Weight423.95 g/mol
Exact Mass423.05
IUPAC NameN-(4-chloro-2-methylphenyl)-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide
SMILESCc1cc(Cl)ccc1NS(=O)(=O)c1cc(-c2noc(C3CCCC3)n2)cs1
InChIInChI=1S/C18H18ClN3O3S2/c1-11-8-14(19)6-7-15(11)22-27(23,24)16-9-13(10-26-16)17-20-18(25-21-17)12-4-2-3-5-12/h6-10,12,22H,2-5H2,1H3
InChIKeyQTTVDBSYFHGNQM-UHFFFAOYSA-N
XLogP5.22
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.95
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2,4-difluorophenyl)thiophene-2-sulfonamide
CID 53042744
4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2,6-dimethylphenyl)thiophene-2-sulfonamide
CID 53042747
4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-N-(4-methylphenyl)thiophene-2-sulfonamide
CID 53042877
4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-N-(3,4-difluorophenyl)thiophene-2-sulfonamide
CID 53042866
N-(5-chloro-2,4-dimethoxyphenyl)-4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide
CID 53042739
N-(3-acetylphenyl)-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide
CID 53104812
4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-cyclopentylthiophene-2-sulfonamide
CID 53042743
2-[[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylamino]-N-(2,4-dimethylphenyl)acetamide
CID 50829149
4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(3-methoxyphenyl)thiophene-2-sulfonamide
CID 53042733
2-[[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylamino]-N-(3,4-difluorophenyl)acetamide
CID 50828976
4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide
CID 53104805
4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide
CID 53042777

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide (CID 53042813) is N-(4-chloro-2-methylphenyl)-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide is Cc1cc(Cl)ccc1NS(=O)(=O)c1cc(-c2noc(C3CCCC3)n2)cs1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide?
The InChIKey is QTTVDBSYFHGNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3S2/c1-11-8-14(19)6-7-15(11)22-27(23,24)16-9-13(10-26-16)17-20-18(25-21-17)12-4-2-3-5-12/h6-10,12,22H,2-5H2,1H3.
What are the key properties of N-(4-chloro-2-methylphenyl)-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide?
N-(4-chloro-2-methylphenyl)-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide has a molecular weight of 423.95 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 53042813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).