2-(2,4-dichloro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide

C14H14Cl2N2O4S — CID 2973377

IUPAC2-(2,4-dichloro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1ccco1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H14Cl2N2O4S/c1-23(20,21)18(13-5-4-10(15)7-12(13)16)9-14(19)17-8-11-3-2-6-22-11/h2-7H,8-9H2,1H3,(H,17,19)
InChIKeyASNKPOSEADVAHM-UHFFFAOYSA-N
MW377.25 g/mol
LogP2.67
Rot. Bonds6

About 2-(2,4-dichloro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide

2-(2,4-dichloro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide (PubChem CID 2973377) has the molecular formula C14H14Cl2N2O4S and a molecular weight of 377.25 g/mol. Its IUPAC name is 2-(2,4-dichloro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dichloro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
PubChem CID2973377
Molecular FormulaC14H14Cl2N2O4S
Molecular Weight377.25 g/mol
Exact Mass376.01
IUPAC Name2-(2,4-dichloro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1ccco1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H14Cl2N2O4S/c1-23(20,21)18(13-5-4-10(15)7-12(13)16)9-14(19)17-8-11-3-2-6-22-11/h2-7H,8-9H2,1H3,(H,17,19)
InChIKeyASNKPOSEADVAHM-UHFFFAOYSA-N
XLogP2.67
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.25
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
CID 1137010
N-benzyl-2-(2,4-dichloro-N-methylsulfonylanilino)acetamide
CID 3465681
2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
CID 113155016
3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide
CID 113144050
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(furan-2-ylmethyl)acetamide
CID 2222335
2-(2,4-dichloro-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 6489838
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
CID 3154152
2-(2-cyano-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
CID 113157141
3-(N-acetyl-2,4-dichloroanilino)-N-(furan-2-ylmethyl)propanamide
CID 113133857
N-(furan-2-ylmethyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 1313308
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 51342866
2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-phenylpropyl)acetamide
CID 133189363

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(2,4-dichloro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide (CID 2973377) is 2-(2,4-dichloro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2,4-dichloro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2,4-dichloro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide is CS(=O)(=O)N(CC(=O)NCc1ccco1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichloro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is ASNKPOSEADVAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O4S/c1-23(20,21)18(13-5-4-10(15)7-12(13)16)9-14(19)17-8-11-3-2-6-22-11/h2-7H,8-9H2,1H3,(H,17,19).
What are the key properties of 2-(2,4-dichloro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide?
2-(2,4-dichloro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 377.25 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 2973377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).