2,4-dichloro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-5-morpholin-4-ylsulfonylbenzamide

C19H21Cl2N3O6S — CID 24542518

IUPAC2,4-dichloro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-5-morpholin-4-ylsulfonylbenzamide
SMILESCN(CC(=O)NCc1ccco1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl
InChIInChI=1S/C19H21Cl2N3O6S/c1-23(12-18(25)22-11-13-3-2-6-30-13)19(26)14-9-17(16(21)10-15(14)20)31(27,28)24-4-7-29-8-5-24/h2-3,6,9-10H,4-5,7-8,11-12H2,1H3,(H,22,25)
InChIKeyMANDWKKGTVSYMJ-UHFFFAOYSA-N
MW490.37 g/mol
LogP2.00
Rot. Bonds7

About 2,4-dichloro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-5-morpholin-4-ylsulfonylbenzamide

2,4-dichloro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 24542518) has the molecular formula C19H21Cl2N3O6S and a molecular weight of 490.37 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-5-morpholin-4-ylsulfonylbenzamide
PubChem CID24542518
Molecular FormulaC19H21Cl2N3O6S
Molecular Weight490.37 g/mol
Exact Mass489.05
IUPAC Name2,4-dichloro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-5-morpholin-4-ylsulfonylbenzamide
SMILESCN(CC(=O)NCc1ccco1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl
InChIInChI=1S/C19H21Cl2N3O6S/c1-23(12-18(25)22-11-13-3-2-6-30-13)19(26)14-9-17(16(21)10-15(14)20)31(27,28)24-4-7-29-8-5-24/h2-3,6,9-10H,4-5,7-8,11-12H2,1H3,(H,22,25)
InChIKeyMANDWKKGTVSYMJ-UHFFFAOYSA-N
XLogP2.00
TPSA109.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.37
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-(furan-2-ylmethyl)-5-morpholin-4-ylsulfonylbenzamide
CID 1107138
2,4-dichloro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55675286
4-chloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 2207960
2,4-dichloro-5-morpholin-4-ylsulfonyl-N-propan-2-ylbenzamide
CID 2994997
N-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-N,2,5-trimethylthiophene-3-carboxamide
CID 43021766
N-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-2-ethoxy-N-methylbenzamide
CID 31932817
2,4-dichloro-N-cyclohexyl-N-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 2336712
2,4-dichloro-N-cycloheptyl-N-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 55468764
N-(furan-2-ylmethyl)-2-(N-methylsulfonyl-2-morpholin-4-ylanilino)acetamide
CID 113156368
2,4-dichloro-N-(2-hydroxyphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 1087710
2,4-dichloro-N-(4-ethylphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 71903942
2,4-dichloro-N-(2,3-dichlorophenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 55345927

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 2,4-dichloro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-5-morpholin-4-ylsulfonylbenzamide (CID 24542518) is 2,4-dichloro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 2,4-dichloro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-5-morpholin-4-ylsulfonylbenzamide is CN(CC(=O)NCc1ccco1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is MANDWKKGTVSYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O6S/c1-23(12-18(25)22-11-13-3-2-6-30-13)19(26)14-9-17(16(21)10-15(14)20)31(27,28)24-4-7-29-8-5-24/h2-3,6,9-10H,4-5,7-8,11-12H2,1H3,(H,22,25).
What are the key properties of 2,4-dichloro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-5-morpholin-4-ylsulfonylbenzamide?
2,4-dichloro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 490.37 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 24542518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).