5-bromo-N-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]furan-2-carboxamide

C18H20BrN3O6S — CID 24620415

IUPAC5-bromo-N-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]furan-2-carboxamide
SMILESCc1ccc(NC(=O)CNC(=O)c2ccc(Br)o2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C18H20BrN3O6S/c1-12-2-3-13(10-15(12)29(25,26)22-6-8-27-9-7-22)21-17(23)11-20-18(24)14-4-5-16(19)28-14/h2-5,10H,6-9,11H2,1H3,(H,20,24)(H,21,23)
InChIKeyVFFFURIGFQRSRZ-UHFFFAOYSA-N
MW486.34 g/mol
LogP1.74
Rot. Bonds6

About 5-bromo-N-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]furan-2-carboxamide

5-bromo-N-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]furan-2-carboxamide (PubChem CID 24620415) has the molecular formula C18H20BrN3O6S and a molecular weight of 486.34 g/mol. Its IUPAC name is 5-bromo-N-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]furan-2-carboxamide
PubChem CID24620415
Molecular FormulaC18H20BrN3O6S
Molecular Weight486.34 g/mol
Exact Mass485.03
IUPAC Name5-bromo-N-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]furan-2-carboxamide
SMILESCc1ccc(NC(=O)CNC(=O)c2ccc(Br)o2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C18H20BrN3O6S/c1-12-2-3-13(10-15(12)29(25,26)22-6-8-27-9-7-22)21-17(23)11-20-18(24)14-4-5-16(19)28-14/h2-5,10H,6-9,11H2,1H3,(H,20,24)(H,21,23)
InChIKeyVFFFURIGFQRSRZ-UHFFFAOYSA-N
XLogP1.74
TPSA117.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.34
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3409401
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CID 26438150
2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-N-phenylacetamide
CID 9100328
3-(3-bromophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 29436303
3-(3,4-difluorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 46686125
2-[(4-chlorophenyl)methylsulfanyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 16523782
(3R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-phenylbutanamide
CID 7689032
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 55518314
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 16528218
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenylmethoxyacetamide
CID 55358424
1-O-methyl 4-O-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] benzene-1,4-dicarboxylate
CID 41447276
2-[(4-cyanophenyl)methylsulfonyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 46489210

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]furan-2-carboxamide (CID 24620415) is 5-bromo-N-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]furan-2-carboxamide is Cc1ccc(NC(=O)CNC(=O)c2ccc(Br)o2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 5-bromo-N-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]furan-2-carboxamide?
The InChIKey is VFFFURIGFQRSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O6S/c1-12-2-3-13(10-15(12)29(25,26)22-6-8-27-9-7-22)21-17(23)11-20-18(24)14-4-5-16(19)28-14/h2-5,10H,6-9,11H2,1H3,(H,20,24)(H,21,23).
What are the key properties of 5-bromo-N-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]furan-2-carboxamide?
5-bromo-N-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]furan-2-carboxamide has a molecular weight of 486.34 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 24620415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).