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

C19H19ClN4O5S2 — CID 53126584

IUPACN-(5-chloro-2-methylphenyl)-2-methyl-5-[5-(morpholine-4-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide
SMILESCc1ccc(Cl)cc1NS(=O)(=O)c1cc(-c2noc(C(=O)N3CCOCC3)n2)sc1C
InChIInChI=1S/C19H19ClN4O5S2/c1-11-3-4-13(20)9-14(11)23-31(26,27)16-10-15(30-12(16)2)17-21-18(29-22-17)19(25)24-5-7-28-8-6-24/h3-4,9-10,23H,5-8H2,1-2H3
InChIKeyAFFXNHLXNSTGOE-UHFFFAOYSA-N
MW482.97 g/mol
LogP3.34
Rot. Bonds5

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

N-(5-chloro-2-methylphenyl)-2-methyl-5-[5-(morpholine-4-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide (PubChem CID 53126584) has the molecular formula C19H19ClN4O5S2 and a molecular weight of 482.97 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-methyl-5-[5-(morpholine-4-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-methyl-5-[5-(morpholine-4-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide
PubChem CID53126584
Molecular FormulaC19H19ClN4O5S2
Molecular Weight482.97 g/mol
Exact Mass482.05
IUPAC NameN-(5-chloro-2-methylphenyl)-2-methyl-5-[5-(morpholine-4-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide
SMILESCc1ccc(Cl)cc1NS(=O)(=O)c1cc(-c2noc(C(=O)N3CCOCC3)n2)sc1C
InChIInChI=1S/C19H19ClN4O5S2/c1-11-3-4-13(20)9-14(11)23-31(26,27)16-10-15(30-12(16)2)17-21-18(29-22-17)19(25)24-5-7-28-8-6-24/h3-4,9-10,23H,5-8H2,1-2H3
InChIKeyAFFXNHLXNSTGOE-UHFFFAOYSA-N
XLogP3.34
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.97
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-methyl-5-[5-(morpholine-4-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide
CID 53126618
N-(4-chloro-2-methylphenyl)-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide
CID 53126506
N-(2,6-dimethylphenyl)-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide
CID 53126513
N-(3-chlorophenyl)-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide
CID 53126502
N-(2,4-dimethylphenyl)-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide
CID 53126534
N-[(4-chlorophenyl)methyl]-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide
CID 53126505
N-(2-ethyl-6-methylphenyl)-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide
CID 53126547
N-(3,4-dimethoxyphenyl)-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide
CID 53011733
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide
CID 95092083
N-(5-chloro-2-methylphenyl)-3-(morpholine-4-carbonyl)-1,2-benzoxazole-5-sulfonamide
CID 53132773
4-chloro-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 99637235
N-(5-chloro-2-methoxyphenyl)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide
CID 53041645

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-methyl-5-[5-(morpholine-4-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-methyl-5-[5-(morpholine-4-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide (CID 53126584) is N-(5-chloro-2-methylphenyl)-2-methyl-5-[5-(morpholine-4-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-methyl-5-[5-(morpholine-4-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-methyl-5-[5-(morpholine-4-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide is Cc1ccc(Cl)cc1NS(=O)(=O)c1cc(-c2noc(C(=O)N3CCOCC3)n2)sc1C.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-methyl-5-[5-(morpholine-4-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide?
The InChIKey is AFFXNHLXNSTGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O5S2/c1-11-3-4-13(20)9-14(11)23-31(26,27)16-10-15(30-12(16)2)17-21-18(29-22-17)19(25)24-5-7-28-8-6-24/h3-4,9-10,23H,5-8H2,1-2H3.
What are the key properties of N-(5-chloro-2-methylphenyl)-2-methyl-5-[5-(morpholine-4-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide?
N-(5-chloro-2-methylphenyl)-2-methyl-5-[5-(morpholine-4-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide has a molecular weight of 482.97 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-methyl-5-[5-(morpholine-4-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide is sourced from PubChem (CID 53126584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).