2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2,4-dimethylpentan-3-yl)acetamide

C18H30N2O3S — CID 2285699

IUPAC2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2,4-dimethylpentan-3-yl)acetamide
SMILESCc1ccc(N(CC(=O)NC(C(C)C)C(C)C)S(C)(=O)=O)cc1C
InChIInChI=1S/C18H30N2O3S/c1-12(2)18(13(3)4)19-17(21)11-20(24(7,22)23)16-9-8-14(5)15(6)10-16/h8-10,12-13,18H,11H2,1-7H3,(H,19,21)
InChIKeyMFCTYFWFAKLMJD-UHFFFAOYSA-N
MW354.52 g/mol
LogP2.87
Rot. Bonds7

About 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2,4-dimethylpentan-3-yl)acetamide

2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2,4-dimethylpentan-3-yl)acetamide (PubChem CID 2285699) has the molecular formula C18H30N2O3S and a molecular weight of 354.52 g/mol. Its IUPAC name is 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2,4-dimethylpentan-3-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2,4-dimethylpentan-3-yl)acetamide
PubChem CID2285699
Molecular FormulaC18H30N2O3S
Molecular Weight354.52 g/mol
Exact Mass354.20
IUPAC Name2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2,4-dimethylpentan-3-yl)acetamide
SMILESCc1ccc(N(CC(=O)NC(C(C)C)C(C)C)S(C)(=O)=O)cc1C
InChIInChI=1S/C18H30N2O3S/c1-12(2)18(13(3)4)19-17(21)11-20(24(7,22)23)16-9-8-14(5)15(6)10-16/h8-10,12-13,18H,11H2,1-7H3,(H,19,21)
InChIKeyMFCTYFWFAKLMJD-UHFFFAOYSA-N
XLogP2.87
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide
CID 75627878
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94016440
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(3-methylbutan-2-yl)acetamide
CID 133166319
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1-phenylpropyl]acetamide
CID 38008993
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 46763358
N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 43897371
N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 43895867
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[1-(4-pyrrolidin-1-ylphenyl)ethyl]acetamide
CID 43895333
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
CID 43895310
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 28572366
4-(3,4-dimethyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide
CID 53281030
N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 43895591

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2,4-dimethylpentan-3-yl)acetamide?
The IUPAC name of 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2,4-dimethylpentan-3-yl)acetamide (CID 2285699) is 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2,4-dimethylpentan-3-yl)acetamide.
What is the SMILES notation for 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2,4-dimethylpentan-3-yl)acetamide?
The canonical SMILES for 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2,4-dimethylpentan-3-yl)acetamide is Cc1ccc(N(CC(=O)NC(C(C)C)C(C)C)S(C)(=O)=O)cc1C.
What is the InChIKey of 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2,4-dimethylpentan-3-yl)acetamide?
The InChIKey is MFCTYFWFAKLMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3S/c1-12(2)18(13(3)4)19-17(21)11-20(24(7,22)23)16-9-8-14(5)15(6)10-16/h8-10,12-13,18H,11H2,1-7H3,(H,19,21).
What are the key properties of 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2,4-dimethylpentan-3-yl)acetamide?
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2,4-dimethylpentan-3-yl)acetamide has a molecular weight of 354.52 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2,4-dimethylpentan-3-yl)acetamide is sourced from PubChem (CID 2285699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).