N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide

C19H18ClN3O5S2 — CID 43055787

IUPACN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide
SMILESCc1sc(-c2ccco2)nc1C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H18ClN3O5S2/c1-12-17(22-19(29-12)15-3-2-8-28-15)18(24)21-13-4-5-14(20)16(11-13)30(25,26)23-6-9-27-10-7-23/h2-5,8,11H,6-7,9-10H2,1H3,(H,21,24)
InChIKeyWFXFSURRRFABHP-UHFFFAOYSA-N
MW467.96 g/mol
LogP3.64
Rot. Bonds5

About N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide

N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide (PubChem CID 43055787) has the molecular formula C19H18ClN3O5S2 and a molecular weight of 467.96 g/mol. Its IUPAC name is N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide
PubChem CID43055787
Molecular FormulaC19H18ClN3O5S2
Molecular Weight467.96 g/mol
Exact Mass467.04
IUPAC NameN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide
SMILESCc1sc(-c2ccco2)nc1C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H18ClN3O5S2/c1-12-17(22-19(29-12)15-3-2-8-28-15)18(24)21-13-4-5-14(20)16(11-13)30(25,26)23-6-9-27-10-7-23/h2-5,8,11H,6-7,9-10H2,1H3,(H,21,24)
InChIKeyWFXFSURRRFABHP-UHFFFAOYSA-N
XLogP3.64
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.96
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide
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N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
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ethyl 6-[(4-chloro-3-morpholin-4-ylsulfonylphenyl)carbamoyl]-2-methylpyridine-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide (CID 43055787) is N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide is Cc1sc(-c2ccco2)nc1C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is WFXFSURRRFABHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O5S2/c1-12-17(22-19(29-12)15-3-2-8-28-15)18(24)21-13-4-5-14(20)16(11-13)30(25,26)23-6-9-27-10-7-23/h2-5,8,11H,6-7,9-10H2,1H3,(H,21,24).
What are the key properties of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide?
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 467.96 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 43055787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).