N-[(2R)-butan-2-yl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide

C15H24N2O5S — CID 2271520

IUPACN-[(2R)-butan-2-yl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide
SMILESCC[C@@H](C)NC(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O
InChIInChI=1S/C15H24N2O5S/c1-6-11(2)16-15(18)10-17(23(5,19)20)12-7-8-13(21-3)14(9-12)22-4/h7-9,11H,6,10H2,1-5H3,(H,16,18)/t11-/m1/s1
InChIKeyYVPFQCWDWFXCFE-LLVKDONJSA-N
MW344.43 g/mol
LogP1.38
Rot. Bonds8

About N-[(2R)-butan-2-yl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide

N-[(2R)-butan-2-yl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide (PubChem CID 2271520) has the molecular formula C15H24N2O5S and a molecular weight of 344.43 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide
PubChem CID2271520
Molecular FormulaC15H24N2O5S
Molecular Weight344.43 g/mol
Exact Mass344.14
IUPAC NameN-[(2R)-butan-2-yl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide
SMILESCC[C@@H](C)NC(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O
InChIInChI=1S/C15H24N2O5S/c1-6-11(2)16-15(18)10-17(23(5,19)20)12-7-8-13(21-3)14(9-12)22-4/h7-9,11H,6,10H2,1-5H3,(H,16,18)/t11-/m1/s1
InChIKeyYVPFQCWDWFXCFE-LLVKDONJSA-N
XLogP1.38
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 125074220
N-butan-2-yl-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 43891595
N-[(2S)-butan-2-yl]-2-[[2-(3,4-dimethoxy-N-methylsulfonylanilino)acetyl]amino]benzamide
CID 126154518
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 92679208
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 46763358
N-[(2R)-butan-2-yl]-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide
CID 2286726
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 43916316
N-[(2R)-butan-2-yl]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 2260081
N-butan-2-yl-2-(4-methyl-N-methylsulfonylanilino)acetamide
CID 3800769
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3-methoxy-N-methylsulfonylanilino)acetamide
CID 28573775
2-(3,4-dichloro-N-methylsulfonylanilino)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 28635578
N-[(2S)-butan-2-yl]-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
CID 27235758

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[(2R)-butan-2-yl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide (CID 2271520) is N-[(2R)-butan-2-yl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide is CC[C@@H](C)NC(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O.
What is the InChIKey of N-[(2R)-butan-2-yl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide?
The InChIKey is YVPFQCWDWFXCFE-LLVKDONJSA-N. The full InChI is InChI=1S/C15H24N2O5S/c1-6-11(2)16-15(18)10-17(23(5,19)20)12-7-8-13(21-3)14(9-12)22-4/h7-9,11H,6,10H2,1-5H3,(H,16,18)/t11-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide?
N-[(2R)-butan-2-yl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide has a molecular weight of 344.43 g/mol, XLogP of 1.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 2271520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).