N-benzyl-2-[(2,5-dichlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)acetamide

C24H26Cl2N2O4S — CID 3572091

IUPACN-benzyl-2-[(2,5-dichlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)acetamide
SMILESCC(C)CN(CC(=O)N(Cc1ccccc1)Cc1ccco1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C24H26Cl2N2O4S/c1-18(2)14-28(33(30,31)23-13-20(25)10-11-22(23)26)17-24(29)27(16-21-9-6-12-32-21)15-19-7-4-3-5-8-19/h3-13,18H,14-17H2,1-2H3
InChIKeyPGOQHCHXCPFYOI-UHFFFAOYSA-N
MW509.46 g/mol
LogP5.46
Rot. Bonds10

About N-benzyl-2-[(2,5-dichlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)acetamide

N-benzyl-2-[(2,5-dichlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)acetamide (PubChem CID 3572091) has the molecular formula C24H26Cl2N2O4S and a molecular weight of 509.46 g/mol. Its IUPAC name is N-benzyl-2-[(2,5-dichlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(2,5-dichlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)acetamide
PubChem CID3572091
Molecular FormulaC24H26Cl2N2O4S
Molecular Weight509.46 g/mol
Exact Mass508.10
IUPAC NameN-benzyl-2-[(2,5-dichlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)acetamide
SMILESCC(C)CN(CC(=O)N(Cc1ccccc1)Cc1ccco1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C24H26Cl2N2O4S/c1-18(2)14-28(33(30,31)23-13-20(25)10-11-22(23)26)17-24(29)27(16-21-9-6-12-32-21)15-19-7-4-3-5-8-19/h3-13,18H,14-17H2,1-2H3
InChIKeyPGOQHCHXCPFYOI-UHFFFAOYSA-N
XLogP5.46
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.46
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,5-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]propanoic acid
CID 50894753
N-benzyl-2-[[2-(4-chlorophenoxy)acetyl]-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 4161219
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide
CID 3547024
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide
CID 3904108
2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 1331141
N-benzyl-2-[butyl-(2,5-dichlorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 3567239
N-(furan-2-ylmethyl)-2-[2-methylpropyl(naphthalen-2-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide
CID 3317247
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(3-methylbutyl)acetamide
CID 126392917
N-(furan-2-ylmethyl)-2-[2-methylpropyl(quinolin-8-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide
CID 3953201
N-benzyl-2-[butan-2-yl-(2,5-dichlorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 3542326
N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]acetamide
CID 3294592
N-(furan-2-ylmethyl)-2-[2-methylpropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-(2-phenylethyl)acetamide
CID 4535974

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(2,5-dichlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of N-benzyl-2-[(2,5-dichlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)acetamide (CID 3572091) is N-benzyl-2-[(2,5-dichlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for N-benzyl-2-[(2,5-dichlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for N-benzyl-2-[(2,5-dichlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)acetamide is CC(C)CN(CC(=O)N(Cc1ccccc1)Cc1ccco1)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-benzyl-2-[(2,5-dichlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is PGOQHCHXCPFYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2N2O4S/c1-18(2)14-28(33(30,31)23-13-20(25)10-11-22(23)26)17-24(29)27(16-21-9-6-12-32-21)15-19-7-4-3-5-8-19/h3-13,18H,14-17H2,1-2H3.
What are the key properties of N-benzyl-2-[(2,5-dichlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)acetamide?
N-benzyl-2-[(2,5-dichlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 509.46 g/mol, XLogP of 5.46, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(2,5-dichlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 3572091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).