N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-5-morpholin-4-ylsulfonylfuran-2-carboxamide

C19H18ClN3O5S2 — CID 46686705

IUPACN-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-5-morpholin-4-ylsulfonylfuran-2-carboxamide
SMILESO=C(/N=c1\sccn1Cc1ccccc1Cl)c1ccc(S(=O)(=O)N2CCOCC2)o1
InChIInChI=1S/C19H18ClN3O5S2/c20-15-4-2-1-3-14(15)13-22-9-12-29-19(22)21-18(24)16-5-6-17(28-16)30(25,26)23-7-10-27-11-8-23/h1-6,9,12H,7-8,10-11,13H2/b21-19-
InChIKeyONZOGSRZFUWHNJ-VZCXRCSSSA-N
MW467.96 g/mol
LogP2.61
Rot. Bonds5

About N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-5-morpholin-4-ylsulfonylfuran-2-carboxamide

N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-5-morpholin-4-ylsulfonylfuran-2-carboxamide (PubChem CID 46686705) has the molecular formula C19H18ClN3O5S2 and a molecular weight of 467.96 g/mol. Its IUPAC name is N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-5-morpholin-4-ylsulfonylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-5-morpholin-4-ylsulfonylfuran-2-carboxamide
PubChem CID46686705
Molecular FormulaC19H18ClN3O5S2
Molecular Weight467.96 g/mol
Exact Mass467.04
IUPAC NameN-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-5-morpholin-4-ylsulfonylfuran-2-carboxamide
SMILESO=C(/N=c1\sccn1Cc1ccccc1Cl)c1ccc(S(=O)(=O)N2CCOCC2)o1
InChIInChI=1S/C19H18ClN3O5S2/c20-15-4-2-1-3-14(15)13-22-9-12-29-19(22)21-18(24)16-5-6-17(28-16)30(25,26)23-7-10-27-11-8-23/h1-6,9,12H,7-8,10-11,13H2/b21-19-
InChIKeyONZOGSRZFUWHNJ-VZCXRCSSSA-N
XLogP2.61
TPSA94.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.96
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(1Z)-1-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-cyclopropylthiourea
CID 42913202
[2-[[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 2686917
(2S,5R)-5-(aminomethyl)-N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]oxolane-2-carboxamide
CID 120796692
N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]oxane-4-carboxamide
CID 38273891
2-chloro-N-(3-methyl-1,3-thiazol-2-ylidene)-5-morpholin-4-ylsulfonylbenzamide
CID 24686586
5-[[2-(2-chlorobenzoyl)imino-1,3-thiazol-3-yl]methyl]-N-cyclopropylfuran-2-carboxamide
CID 51067409
methyl 4-[[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]carbamothioylamino]butanoate
CID 9054250
N-[(2-chlorophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)methanamine
CID 27656588
N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 60599665
[2-[[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl] N,N-diethylcarbamodithioate
CID 2497795
[2-[[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl] (2E,4E)-hexa-2,4-dienoate
CID 16525232
N-(2-hydroxyphenyl)-5-morpholin-4-ylsulfonylfuran-2-carboxamide
CID 84578663

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-5-morpholin-4-ylsulfonylfuran-2-carboxamide?
The IUPAC name of N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-5-morpholin-4-ylsulfonylfuran-2-carboxamide (CID 46686705) is N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-5-morpholin-4-ylsulfonylfuran-2-carboxamide.
What is the SMILES notation for N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-5-morpholin-4-ylsulfonylfuran-2-carboxamide?
The canonical SMILES for N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-5-morpholin-4-ylsulfonylfuran-2-carboxamide is O=C(/N=c1\sccn1Cc1ccccc1Cl)c1ccc(S(=O)(=O)N2CCOCC2)o1.
What is the InChIKey of N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-5-morpholin-4-ylsulfonylfuran-2-carboxamide?
The InChIKey is ONZOGSRZFUWHNJ-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H18ClN3O5S2/c20-15-4-2-1-3-14(15)13-22-9-12-29-19(22)21-18(24)16-5-6-17(28-16)30(25,26)23-7-10-27-11-8-23/h1-6,9,12H,7-8,10-11,13H2/b21-19-.
What are the key properties of N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-5-morpholin-4-ylsulfonylfuran-2-carboxamide?
N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-5-morpholin-4-ylsulfonylfuran-2-carboxamide has a molecular weight of 467.96 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-5-morpholin-4-ylsulfonylfuran-2-carboxamide is sourced from PubChem (CID 46686705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).