2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide

C15H21ClN2O4S — CID 649423

IUPAC2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1ccc(N(CC(=O)NCC2CCCO2)S(C)(=O)=O)cc1Cl
InChIInChI=1S/C15H21ClN2O4S/c1-11-5-6-12(8-14(11)16)18(23(2,20)21)10-15(19)17-9-13-4-3-7-22-13/h5-6,8,13H,3-4,7,9-10H2,1-2H3,(H,17,19)
InChIKeyMMFOAQCAKIIQEK-UHFFFAOYSA-N
MW360.86 g/mol
LogP1.71
Rot. Bonds6

About 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide

2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 649423) has the molecular formula C15H21ClN2O4S and a molecular weight of 360.86 g/mol. Its IUPAC name is 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID649423
Molecular FormulaC15H21ClN2O4S
Molecular Weight360.86 g/mol
Exact Mass360.09
IUPAC Name2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1ccc(N(CC(=O)NCC2CCCO2)S(C)(=O)=O)cc1Cl
InChIInChI=1S/C15H21ClN2O4S/c1-11-5-6-12(8-14(11)16)18(23(2,20)21)10-15(19)17-9-13-4-3-7-22-13/h5-6,8,13H,3-4,7,9-10H2,1-2H3,(H,17,19)
InChIKeyMMFOAQCAKIIQEK-UHFFFAOYSA-N
XLogP1.71
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.86
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide (CID 649423) is 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide is Cc1ccc(N(CC(=O)NCC2CCCO2)S(C)(=O)=O)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is MMFOAQCAKIIQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O4S/c1-11-5-6-12(8-14(11)16)18(23(2,20)21)10-15(19)17-9-13-4-3-7-22-13/h5-6,8,13H,3-4,7,9-10H2,1-2H3,(H,17,19).
What are the key properties of 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide?
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 360.86 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 649423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).