3-methyl-N-[1-[3-(1,3-thiazol-2-yloxy)azetidine-1-carbonyl]cyclohexyl]benzenesulfonamide

C20H25N3O4S2 — CID 90627511

IUPAC3-methyl-N-[1-[3-(1,3-thiazol-2-yloxy)azetidine-1-carbonyl]cyclohexyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NC2(C(=O)N3CC(Oc4nccs4)C3)CCCCC2)c1
InChIInChI=1S/C20H25N3O4S2/c1-15-6-5-7-17(12-15)29(25,26)22-20(8-3-2-4-9-20)18(24)23-13-16(14-23)27-19-21-10-11-28-19/h5-7,10-12,16,22H,2-4,8-9,13-14H2,1H3
InChIKeyMGCHHMLLFYNOFZ-UHFFFAOYSA-N
MW435.57 g/mol
LogP2.72
Rot. Bonds6

About 3-methyl-N-[1-[3-(1,3-thiazol-2-yloxy)azetidine-1-carbonyl]cyclohexyl]benzenesulfonamide

3-methyl-N-[1-[3-(1,3-thiazol-2-yloxy)azetidine-1-carbonyl]cyclohexyl]benzenesulfonamide (PubChem CID 90627511) has the molecular formula C20H25N3O4S2 and a molecular weight of 435.57 g/mol. Its IUPAC name is 3-methyl-N-[1-[3-(1,3-thiazol-2-yloxy)azetidine-1-carbonyl]cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-[1-[3-(1,3-thiazol-2-yloxy)azetidine-1-carbonyl]cyclohexyl]benzenesulfonamide
PubChem CID90627511
Molecular FormulaC20H25N3O4S2
Molecular Weight435.57 g/mol
Exact Mass435.13
IUPAC Name3-methyl-N-[1-[3-(1,3-thiazol-2-yloxy)azetidine-1-carbonyl]cyclohexyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NC2(C(=O)N3CC(Oc4nccs4)C3)CCCCC2)c1
InChIInChI=1S/C20H25N3O4S2/c1-15-6-5-7-17(12-15)29(25,26)22-20(8-3-2-4-9-20)18(24)23-13-16(14-23)27-19-21-10-11-28-19/h5-7,10-12,16,22H,2-4,8-9,13-14H2,1H3
InChIKeyMGCHHMLLFYNOFZ-UHFFFAOYSA-N
XLogP2.72
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3-methylphenyl)sulfonylamino]-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]cyclohexane-1-carboxamide
CID 90597267
N-[1-[3-(4-chlorophenyl)sulfonylazetidine-1-carbonyl]cyclohexyl]-3-methylbenzenesulfonamide
CID 90594923
N-[1-(3-methoxy-8-azabicyclo[3.2.1]octane-8-carbonyl)cyclohexyl]-3-methylbenzenesulfonamide
CID 122255300
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-1-[(3-methylphenyl)sulfonylamino]cyclohexane-1-carboxamide
CID 90595353
3-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 25044262
2,5-dimethyl-N-[2-oxo-2-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]ethyl]benzenesulfonamide
CID 121150404
2-(3-methoxyphenyl)-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]ethanone
CID 90627458
N-phenyl-3-(1,3-thiazol-2-yloxy)azetidine-1-carboxamide
CID 90627669
3-(benzenesulfonyl)-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]propan-1-one
CID 121150388
(6-methyl-3-pyridinyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone
CID 154781940
2-[1-(3-chloro-4-methylphenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole
CID 90627728
2-[1-(2,3,5,6-tetramethylphenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole
CID 73168899

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-[3-(1,3-thiazol-2-yloxy)azetidine-1-carbonyl]cyclohexyl]benzenesulfonamide?
The IUPAC name of 3-methyl-N-[1-[3-(1,3-thiazol-2-yloxy)azetidine-1-carbonyl]cyclohexyl]benzenesulfonamide (CID 90627511) is 3-methyl-N-[1-[3-(1,3-thiazol-2-yloxy)azetidine-1-carbonyl]cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-[1-[3-(1,3-thiazol-2-yloxy)azetidine-1-carbonyl]cyclohexyl]benzenesulfonamide?
The canonical SMILES for 3-methyl-N-[1-[3-(1,3-thiazol-2-yloxy)azetidine-1-carbonyl]cyclohexyl]benzenesulfonamide is Cc1cccc(S(=O)(=O)NC2(C(=O)N3CC(Oc4nccs4)C3)CCCCC2)c1.
What is the InChIKey of 3-methyl-N-[1-[3-(1,3-thiazol-2-yloxy)azetidine-1-carbonyl]cyclohexyl]benzenesulfonamide?
The InChIKey is MGCHHMLLFYNOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S2/c1-15-6-5-7-17(12-15)29(25,26)22-20(8-3-2-4-9-20)18(24)23-13-16(14-23)27-19-21-10-11-28-19/h5-7,10-12,16,22H,2-4,8-9,13-14H2,1H3.
What are the key properties of 3-methyl-N-[1-[3-(1,3-thiazol-2-yloxy)azetidine-1-carbonyl]cyclohexyl]benzenesulfonamide?
3-methyl-N-[1-[3-(1,3-thiazol-2-yloxy)azetidine-1-carbonyl]cyclohexyl]benzenesulfonamide has a molecular weight of 435.57 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-[3-(1,3-thiazol-2-yloxy)azetidine-1-carbonyl]cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 90627511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).