N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide

C21H19N3O5S2 — CID 4844976

IUPACN-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1nc2c(s1)COc1ccccc1-2)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C21H19N3O5S2/c25-20(14-4-3-5-15(12-14)31(26,27)24-8-10-28-11-9-24)23-21-22-19-16-6-1-2-7-17(16)29-13-18(19)30-21/h1-7,12H,8-11,13H2,(H,22,23,25)
InChIKeyMOLIWBRZJHKNBO-UHFFFAOYSA-N
MW457.53 g/mol
LogP2.98
Rot. Bonds4

About N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide

N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 4844976) has the molecular formula C21H19N3O5S2 and a molecular weight of 457.53 g/mol. Its IUPAC name is N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
PubChem CID4844976
Molecular FormulaC21H19N3O5S2
Molecular Weight457.53 g/mol
Exact Mass457.08
IUPAC NameN-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1nc2c(s1)COc1ccccc1-2)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C21H19N3O5S2/c25-20(14-4-3-5-15(12-14)31(26,27)24-8-10-28-11-9-24)23-21-22-19-16-6-1-2-7-17(16)29-13-18(19)30-21/h1-7,12H,8-11,13H2,(H,22,23,25)
InChIKeyMOLIWBRZJHKNBO-UHFFFAOYSA-N
XLogP2.98
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-fluorobenzamide
CID 4533660
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 2332761
4-benzoyl-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)benzamide
CID 4557200
N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-[(4-fluorophenyl)sulfonylamino]benzamide
CID 16822805
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 2388087
1-(benzenesulfonyl)-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)piperidine-3-carboxamide
CID 16861664
N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-4-phenylbenzamide
CID 4583151
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 2382444
N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)naphthalene-1-carboxamide
CID 4115235
N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide
CID 4107859
N-(2-iodophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 5217633
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 2101190

Frequently Asked Questions

What is the IUPAC name of N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide (CID 4844976) is N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide is O=C(Nc1nc2c(s1)COc1ccccc1-2)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is MOLIWBRZJHKNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O5S2/c25-20(14-4-3-5-15(12-14)31(26,27)24-8-10-28-11-9-24)23-21-22-19-16-6-1-2-7-17(16)29-13-18(19)30-21/h1-7,12H,8-11,13H2,(H,22,23,25).
What are the key properties of N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide?
N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 457.53 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 4844976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).