2-(benzenesulfonamido)-N-[(4-chlorophenyl)methyl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide

C22H22ClN3O5S — CID 3207219

IUPAC2-(benzenesulfonamido)-N-[(4-chlorophenyl)methyl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
SMILESO=C(CN(Cc1ccc(Cl)cc1)C(=O)CNS(=O)(=O)c1ccccc1)NCc1ccco1
InChIInChI=1S/C22H22ClN3O5S/c23-18-10-8-17(9-11-18)15-26(16-21(27)24-13-19-5-4-12-31-19)22(28)14-25-32(29,30)20-6-2-1-3-7-20/h1-12,25H,13-16H2,(H,24,27)
InChIKeyGLGVPDDTYUUVRC-UHFFFAOYSA-N
MW475.95 g/mol
LogP2.56
Rot. Bonds10

About 2-(benzenesulfonamido)-N-[(4-chlorophenyl)methyl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide

2-(benzenesulfonamido)-N-[(4-chlorophenyl)methyl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide (PubChem CID 3207219) has the molecular formula C22H22ClN3O5S and a molecular weight of 475.95 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-[(4-chlorophenyl)methyl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-[(4-chlorophenyl)methyl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
PubChem CID3207219
Molecular FormulaC22H22ClN3O5S
Molecular Weight475.95 g/mol
Exact Mass475.10
IUPAC Name2-(benzenesulfonamido)-N-[(4-chlorophenyl)methyl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
SMILESO=C(CN(Cc1ccc(Cl)cc1)C(=O)CNS(=O)(=O)c1ccccc1)NCc1ccco1
InChIInChI=1S/C22H22ClN3O5S/c23-18-10-8-17(9-11-18)15-26(16-21(27)24-13-19-5-4-12-31-19)22(28)14-25-32(29,30)20-6-2-1-3-7-20/h1-12,25H,13-16H2,(H,24,27)
InChIKeyGLGVPDDTYUUVRC-UHFFFAOYSA-N
XLogP2.56
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.95
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-chlorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide
CID 3207100
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(furan-2-ylmethyl)acetamide
CID 2222335
2-(benzenesulfonamido)-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)acetamide
CID 3389812
N-(furan-2-ylmethyl)-2-[(4-phenylphenyl)sulfonylamino]acetamide
CID 87024650
2-(N-[2-[(4-chlorophenyl)sulfonylamino]acetyl]anilino)-N-(furan-2-ylmethyl)butanamide
CID 3207131
2-[benzenesulfonyl(benzyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 1141916
2-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 1315730
N-(2-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
CID 3207073
2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)acetamide
CID 38254473
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(furan-2-ylmethyl)acetamide
CID 1337777
2-[(4-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(2-morpholin-4-ylethyl)acetamide
CID 3207001
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N,3-dimethylbutanamide
CID 24619526

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-[(4-chlorophenyl)methyl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide?
The IUPAC name of 2-(benzenesulfonamido)-N-[(4-chlorophenyl)methyl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide (CID 3207219) is 2-(benzenesulfonamido)-N-[(4-chlorophenyl)methyl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-[(4-chlorophenyl)methyl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-[(4-chlorophenyl)methyl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide is O=C(CN(Cc1ccc(Cl)cc1)C(=O)CNS(=O)(=O)c1ccccc1)NCc1ccco1.
What is the InChIKey of 2-(benzenesulfonamido)-N-[(4-chlorophenyl)methyl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide?
The InChIKey is GLGVPDDTYUUVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O5S/c23-18-10-8-17(9-11-18)15-26(16-21(27)24-13-19-5-4-12-31-19)22(28)14-25-32(29,30)20-6-2-1-3-7-20/h1-12,25H,13-16H2,(H,24,27).
What are the key properties of 2-(benzenesulfonamido)-N-[(4-chlorophenyl)methyl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide?
2-(benzenesulfonamido)-N-[(4-chlorophenyl)methyl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide has a molecular weight of 475.95 g/mol, XLogP of 2.56, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-[(4-chlorophenyl)methyl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide is sourced from PubChem (CID 3207219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).