4-ethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide

C23H25N3O4S2 — CID 30838011

IUPAC4-ethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide
SMILESCCc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C23H25N3O4S2/c1-3-17-8-9-19(14-21(17)32(28,29)26-10-12-30-13-11-26)22(27)25-23-24-20(15-31-23)18-6-4-16(2)5-7-18/h4-9,14-15H,3,10-13H2,1-2H3,(H,24,25,27)
InChIKeyOFCMFABRFKDNEC-UHFFFAOYSA-N
MW471.60 g/mol
LogP3.95
Rot. Bonds6

About 4-ethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide

4-ethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 30838011) has the molecular formula C23H25N3O4S2 and a molecular weight of 471.60 g/mol. Its IUPAC name is 4-ethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-ethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide
PubChem CID30838011
Molecular FormulaC23H25N3O4S2
Molecular Weight471.60 g/mol
Exact Mass471.13
IUPAC Name4-ethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide
SMILESCCc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C23H25N3O4S2/c1-3-17-8-9-19(14-21(17)32(28,29)26-10-12-30-13-11-26)22(27)25-23-24-20(15-31-23)18-6-4-16(2)5-7-18/h4-9,14-15H,3,10-13H2,1-2H3,(H,24,25,27)
InChIKeyOFCMFABRFKDNEC-UHFFFAOYSA-N
XLogP3.95
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 26066731
[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 23769072
4-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 26073381
N-(2-chloro-4-methylphenyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 46584228
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 43059698
4-ethyl-N-(6-methyl-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide
CID 46581324
N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 46581642
N-(5-chloro-2-methylphenyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 46581514
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 30838242
4-heptoxy-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4500684
N-butan-2-yl-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 46584081
4-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 30838001

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 4-ethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide (CID 30838011) is 4-ethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 4-ethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 4-ethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide is CCc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-ethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is OFCMFABRFKDNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S2/c1-3-17-8-9-19(14-21(17)32(28,29)26-10-12-30-13-11-26)22(27)25-23-24-20(15-31-23)18-6-4-16(2)5-7-18/h4-9,14-15H,3,10-13H2,1-2H3,(H,24,25,27).
What are the key properties of 4-ethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide?
4-ethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 471.60 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 30838011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).