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

C19H19ClN4O6S2 — CID 53126618

IUPACN-(5-chloro-2-methoxyphenyl)-2-methyl-5-[5-(morpholine-4-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide
SMILESCOc1ccc(Cl)cc1NS(=O)(=O)c1cc(-c2noc(C(=O)N3CCOCC3)n2)sc1C
InChIInChI=1S/C19H19ClN4O6S2/c1-11-16(32(26,27)23-13-9-12(20)3-4-14(13)28-2)10-15(31-11)17-21-18(30-22-17)19(25)24-5-7-29-8-6-24/h3-4,9-10,23H,5-8H2,1-2H3
InChIKeyHAJLXRMLWZEFBM-UHFFFAOYSA-N
MW498.97 g/mol
LogP3.04
Rot. Bonds6

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

N-(5-chloro-2-methoxyphenyl)-2-methyl-5-[5-(morpholine-4-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide (PubChem CID 53126618) has the molecular formula C19H19ClN4O6S2 and a molecular weight of 498.97 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-methyl-5-[5-(morpholine-4-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-methyl-5-[5-(morpholine-4-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide
PubChem CID53126618
Molecular FormulaC19H19ClN4O6S2
Molecular Weight498.97 g/mol
Exact Mass498.04
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-methyl-5-[5-(morpholine-4-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide
SMILESCOc1ccc(Cl)cc1NS(=O)(=O)c1cc(-c2noc(C(=O)N3CCOCC3)n2)sc1C
InChIInChI=1S/C19H19ClN4O6S2/c1-11-16(32(26,27)23-13-9-12(20)3-4-14(13)28-2)10-15(31-11)17-21-18(30-22-17)19(25)24-5-7-29-8-6-24/h3-4,9-10,23H,5-8H2,1-2H3
InChIKeyHAJLXRMLWZEFBM-UHFFFAOYSA-N
XLogP3.04
TPSA123.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.97
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-methyl-5-[5-(morpholine-4-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide
CID 53126584
N-(4-chloro-2-methylphenyl)-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide
CID 53126506
N-(3,4-dimethoxyphenyl)-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide
CID 53011733
N-(5-chloro-2-methoxyphenyl)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide
CID 53041645
N-(2,6-dimethylphenyl)-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide
CID 53126513
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-methoxyphenyl)methyl]-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide
CID 53126548
N-(2-ethyl-6-methylphenyl)-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide
CID 53126547
N-(2-methoxy-5-methylphenyl)-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-3-sulfonamide
CID 53133466
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-(2-methoxyphenyl)-2-methyl-5-[5-(piperidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 53205053

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-methyl-5-[5-(morpholine-4-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-methyl-5-[5-(morpholine-4-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide (CID 53126618) is N-(5-chloro-2-methoxyphenyl)-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-methoxyphenyl)-2-methyl-5-[5-(morpholine-4-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-methyl-5-[5-(morpholine-4-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide is COc1ccc(Cl)cc1NS(=O)(=O)c1cc(-c2noc(C(=O)N3CCOCC3)n2)sc1C.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-methyl-5-[5-(morpholine-4-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide?
The InChIKey is HAJLXRMLWZEFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O6S2/c1-11-16(32(26,27)23-13-9-12(20)3-4-14(13)28-2)10-15(31-11)17-21-18(30-22-17)19(25)24-5-7-29-8-6-24/h3-4,9-10,23H,5-8H2,1-2H3.
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-methyl-5-[5-(morpholine-4-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide?
N-(5-chloro-2-methoxyphenyl)-2-methyl-5-[5-(morpholine-4-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide has a molecular weight of 498.97 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-methyl-5-[5-(morpholine-4-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide is sourced from PubChem (CID 53126618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).