4-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide

C21H23N3O5S2 — CID 30838001

IUPAC4-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
SMILESCCc1ccc(C(=O)Nc2nc3ccc(OC)cc3s2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H23N3O5S2/c1-3-14-4-5-15(12-19(14)31(26,27)24-8-10-29-11-9-24)20(25)23-21-22-17-7-6-16(28-2)13-18(17)30-21/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,23,25)
InChIKeyRUAKZQSECDNFBA-UHFFFAOYSA-N
MW461.57 g/mol
LogP3.14
Rot. Bonds6

About 4-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide

4-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 30838001) has the molecular formula C21H23N3O5S2 and a molecular weight of 461.57 g/mol. Its IUPAC name is 4-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
PubChem CID30838001
Molecular FormulaC21H23N3O5S2
Molecular Weight461.57 g/mol
Exact Mass461.11
IUPAC Name4-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
SMILESCCc1ccc(C(=O)Nc2nc3ccc(OC)cc3s2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H23N3O5S2/c1-3-14-4-5-15(12-19(14)31(26,27)24-8-10-29-11-9-24)20(25)23-21-22-17-7-6-16(28-2)13-18(17)30-21/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,23,25)
InChIKeyRUAKZQSECDNFBA-UHFFFAOYSA-N
XLogP3.14
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 30838242
4-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2596981
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 43059698
4-ethyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 30838356
4-methoxy-3-morpholin-4-ylsulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
CID 2344495
4-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 2553186
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 46581642
methyl 4-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 30839746
4-ethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 30838011
N-[1-(2,4-dimethoxyphenyl)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 55579646
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide
CID 146405944

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 4-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide (CID 30838001) is 4-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 4-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 4-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide is CCc1ccc(C(=O)Nc2nc3ccc(OC)cc3s2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is RUAKZQSECDNFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5S2/c1-3-14-4-5-15(12-19(14)31(26,27)24-8-10-29-11-9-24)20(25)23-21-22-17-7-6-16(28-2)13-18(17)30-21/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,23,25).
What are the key properties of 4-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide?
4-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 461.57 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 30838001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).