3-(methanesulfonamido)-N-(3-methylbutan-2-yl)benzamide

C13H20N2O3S — CID 43016598

IUPAC3-(methanesulfonamido)-N-(3-methylbutan-2-yl)benzamide
SMILESCC(C)C(C)NC(=O)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C13H20N2O3S/c1-9(2)10(3)14-13(16)11-6-5-7-12(8-11)15-19(4,17)18/h5-10,15H,1-4H3,(H,14,16)
InChIKeyXXPPIGSESFRDED-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.83
Rot. Bonds5

About 3-(methanesulfonamido)-N-(3-methylbutan-2-yl)benzamide

3-(methanesulfonamido)-N-(3-methylbutan-2-yl)benzamide (PubChem CID 43016598) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 3-(methanesulfonamido)-N-(3-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-N-(3-methylbutan-2-yl)benzamide
PubChem CID43016598
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name3-(methanesulfonamido)-N-(3-methylbutan-2-yl)benzamide
SMILESCC(C)C(C)NC(=O)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C13H20N2O3S/c1-9(2)10(3)14-13(16)11-6-5-7-12(8-11)15-19(4,17)18/h5-10,15H,1-4H3,(H,14,16)
InChIKeyXXPPIGSESFRDED-UHFFFAOYSA-N
XLogP1.83
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(methanesulfonamido)benzamide
CID 92676500
3-(methanesulfonamido)-N-(4-phenylbutan-2-yl)benzamide
CID 18107551
3-(methanesulfonamido)-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 41453393
N-[3-[3-(methanesulfonamido)benzoyl]phenyl]methanesulfonamide
CID 127038503
3-N-[(2R)-3-methylbutan-2-yl]benzene-1,3-dicarboxamide
CID 30827773
3-methyl-N-(3-methylbutan-2-yl)benzamide
CID 18712138
3-methyl-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 94665537
N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-(methanesulfonamido)benzamide
CID 55702907
N-[1-[3-(methanesulfonamido)phenyl]ethyl]-3-(propanoylamino)benzamide
CID 55837471
2-chloro-5-(methanesulfonamido)-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 100568601
4-(methanesulfonamido)-3-methyl-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 100566256
N-[(2S)-3-methylbutan-2-yl]-3-[methyl(methylsulfonyl)amino]benzamide
CID 100571722

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-N-(3-methylbutan-2-yl)benzamide?
The IUPAC name of 3-(methanesulfonamido)-N-(3-methylbutan-2-yl)benzamide (CID 43016598) is 3-(methanesulfonamido)-N-(3-methylbutan-2-yl)benzamide.
What is the SMILES notation for 3-(methanesulfonamido)-N-(3-methylbutan-2-yl)benzamide?
The canonical SMILES for 3-(methanesulfonamido)-N-(3-methylbutan-2-yl)benzamide is CC(C)C(C)NC(=O)c1cccc(NS(C)(=O)=O)c1.
What is the InChIKey of 3-(methanesulfonamido)-N-(3-methylbutan-2-yl)benzamide?
The InChIKey is XXPPIGSESFRDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-9(2)10(3)14-13(16)11-6-5-7-12(8-11)15-19(4,17)18/h5-10,15H,1-4H3,(H,14,16).
What are the key properties of 3-(methanesulfonamido)-N-(3-methylbutan-2-yl)benzamide?
3-(methanesulfonamido)-N-(3-methylbutan-2-yl)benzamide has a molecular weight of 284.38 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-N-(3-methylbutan-2-yl)benzamide is sourced from PubChem (CID 43016598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).