2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide

C16H19ClN2O4S — CID 113155016

IUPAC2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
SMILESCc1cc(C)c(N(CC(=O)NCc2ccco2)S(C)(=O)=O)c(Cl)c1
InChIInChI=1S/C16H19ClN2O4S/c1-11-7-12(2)16(14(17)8-11)19(24(3,21)22)10-15(20)18-9-13-5-4-6-23-13/h4-8H,9-10H2,1-3H3,(H,18,20)
InChIKeyOCRDVNYOQNSSTM-UHFFFAOYSA-N
MW370.86 g/mol
LogP2.63
Rot. Bonds6

About 2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide

2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide (PubChem CID 113155016) has the molecular formula C16H19ClN2O4S and a molecular weight of 370.86 g/mol. Its IUPAC name is 2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
PubChem CID113155016
Molecular FormulaC16H19ClN2O4S
Molecular Weight370.86 g/mol
Exact Mass370.08
IUPAC Name2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
SMILESCc1cc(C)c(N(CC(=O)NCc2ccco2)S(C)(=O)=O)c(Cl)c1
InChIInChI=1S/C16H19ClN2O4S/c1-11-7-12(2)16(14(17)8-11)19(24(3,21)22)10-15(20)18-9-13-5-4-6-23-13/h4-8H,9-10H2,1-3H3,(H,18,20)
InChIKeyOCRDVNYOQNSSTM-UHFFFAOYSA-N
XLogP2.63
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.86
LogP ≤ 52.63
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-(furan-2-ylmethyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143143
2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]acetamide
CID 113155019
2-(2,4-dichloro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
CID 2973377
N-(furan-2-ylmethyl)-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 1085413
N-(furan-2-ylmethyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 1313308
2-[(3,4-dichlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)acetamide
CID 21373432
2-(3-acetyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
CID 2975957
3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide
CID 113144050
N-[(4-methylphenyl)methyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30263870
2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113155010
2-[tert-butyl(methylsulfonyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 113152850

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide (CID 113155016) is 2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide is Cc1cc(C)c(N(CC(=O)NCc2ccco2)S(C)(=O)=O)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is OCRDVNYOQNSSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O4S/c1-11-7-12(2)16(14(17)8-11)19(24(3,21)22)10-15(20)18-9-13-5-4-6-23-13/h4-8H,9-10H2,1-3H3,(H,18,20).
What are the key properties of 2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide?
2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 370.86 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 113155016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).