N-(4-chlorophenyl)-2-methyl-5-morpholin-4-ylsulfonylfuran-3-carboxamide

C16H17ClN2O5S — CID 2810588

IUPACN-(4-chlorophenyl)-2-methyl-5-morpholin-4-ylsulfonylfuran-3-carboxamide
SMILESCc1oc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O5S/c1-11-14(16(20)18-13-4-2-12(17)3-5-13)10-15(24-11)25(21,22)19-6-8-23-9-7-19/h2-5,10H,6-9H2,1H3,(H,18,20)
InChIKeyNQTDRLXAHIOMSY-UHFFFAOYSA-N
MW384.84 g/mol
LogP2.51
Rot. Bonds4

About N-(4-chlorophenyl)-2-methyl-5-morpholin-4-ylsulfonylfuran-3-carboxamide

N-(4-chlorophenyl)-2-methyl-5-morpholin-4-ylsulfonylfuran-3-carboxamide (PubChem CID 2810588) has the molecular formula C16H17ClN2O5S and a molecular weight of 384.84 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-methyl-5-morpholin-4-ylsulfonylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-methyl-5-morpholin-4-ylsulfonylfuran-3-carboxamide
PubChem CID2810588
Molecular FormulaC16H17ClN2O5S
Molecular Weight384.84 g/mol
Exact Mass384.05
IUPAC NameN-(4-chlorophenyl)-2-methyl-5-morpholin-4-ylsulfonylfuran-3-carboxamide
SMILESCc1oc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O5S/c1-11-14(16(20)18-13-4-2-12(17)3-5-13)10-15(24-11)25(21,22)19-6-8-23-9-7-19/h2-5,10H,6-9H2,1H3,(H,18,20)
InChIKeyNQTDRLXAHIOMSY-UHFFFAOYSA-N
XLogP2.51
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.84
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-2-methyl-5-(morpholinosulfonyl)-3-furamide
CID 2810589
2-methyl-N-(4-sulfamoylphenyl)furan-3-carboxamide
CID 896124
5-[(dimethylamino)sulfonyl]-2-methyl-N-phenyl-3-furamide
CID 2809675
N-(4-chlorophenyl)-5-[(dimethylamino)sulfonyl]-2-methyl-3-furamide
CID 2810585
2-methyl-N-[4-(1-pyrrolidinylsulfonyl)phenyl]-3-furamide
CID 1245284
[2-(4-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 2434535
N-(4-chlorophenyl)-N'-[2-methyl-5-(piperidinosulfonyl)-3-furyl]urea
CID 2810411
[2-(3-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 4419767
2-methyl-N-phenyl-5-(1-pyrrolidinylsulfonyl)-3-furamide
CID 2810593
N-(4-fluorophenyl)-2-methyl-5-(1-pyrrolidinylsulfonyl)-3-furamide
CID 2810594
N-(4-methoxyphenyl)-2-methyl-5-(1-pyrrolidinylsulfonyl)-3-furamide
CID 2810591
N-(3-chloro-4-morpholinophenyl)-2,5-dimethyl-3-furamide
CID 2811743

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-methyl-5-morpholin-4-ylsulfonylfuran-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-methyl-5-morpholin-4-ylsulfonylfuran-3-carboxamide (CID 2810588) is N-(4-chlorophenyl)-2-methyl-5-morpholin-4-ylsulfonylfuran-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-methyl-5-morpholin-4-ylsulfonylfuran-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-methyl-5-morpholin-4-ylsulfonylfuran-3-carboxamide is Cc1oc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-methyl-5-morpholin-4-ylsulfonylfuran-3-carboxamide?
The InChIKey is NQTDRLXAHIOMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O5S/c1-11-14(16(20)18-13-4-2-12(17)3-5-13)10-15(24-11)25(21,22)19-6-8-23-9-7-19/h2-5,10H,6-9H2,1H3,(H,18,20).
What are the key properties of N-(4-chlorophenyl)-2-methyl-5-morpholin-4-ylsulfonylfuran-3-carboxamide?
N-(4-chlorophenyl)-2-methyl-5-morpholin-4-ylsulfonylfuran-3-carboxamide has a molecular weight of 384.84 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-methyl-5-morpholin-4-ylsulfonylfuran-3-carboxamide is sourced from PubChem (CID 2810588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).