4-(methanesulfonamido)-3-methyl-N-[(2S)-3-methylbutan-2-yl]benzamide

C14H22N2O3S — CID 100566256

IUPAC4-(methanesulfonamido)-3-methyl-N-[(2S)-3-methylbutan-2-yl]benzamide
SMILESCc1cc(C(=O)N[C@@H](C)C(C)C)ccc1NS(C)(=O)=O
InChIInChI=1S/C14H22N2O3S/c1-9(2)11(4)15-14(17)12-6-7-13(10(3)8-12)16-20(5,18)19/h6-9,11,16H,1-5H3,(H,15,17)/t11-/m0/s1
InChIKeyZCSLHMUDLBMKTL-NSHDSACASA-N
MW298.41 g/mol
LogP2.14
Rot. Bonds5

About 4-(methanesulfonamido)-3-methyl-N-[(2S)-3-methylbutan-2-yl]benzamide

4-(methanesulfonamido)-3-methyl-N-[(2S)-3-methylbutan-2-yl]benzamide (PubChem CID 100566256) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-(methanesulfonamido)-3-methyl-N-[(2S)-3-methylbutan-2-yl]benzamide.

Molecular Properties

Compound Name4-(methanesulfonamido)-3-methyl-N-[(2S)-3-methylbutan-2-yl]benzamide
PubChem CID100566256
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name4-(methanesulfonamido)-3-methyl-N-[(2S)-3-methylbutan-2-yl]benzamide
SMILESCc1cc(C(=O)N[C@@H](C)C(C)C)ccc1NS(C)(=O)=O
InChIInChI=1S/C14H22N2O3S/c1-9(2)11(4)15-14(17)12-6-7-13(10(3)8-12)16-20(5,18)19/h6-9,11,16H,1-5H3,(H,15,17)/t11-/m0/s1
InChIKeyZCSLHMUDLBMKTL-NSHDSACASA-N
XLogP2.14
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-4-(methanesulfonamido)-3-methylbenzamide
CID 99130877
N-[1-(4-fluorophenyl)ethyl]-4-(methanesulfonamido)-3-methylbenzamide
CID 53281833
N-[1-(4-ethylphenyl)ethyl]-4-(methanesulfonamido)-3-methylbenzamide
CID 133228176
4-methyl-N-(3-methylbutan-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide
CID 43016594
3-(methanesulfonamido)-N-(3-methylbutan-2-yl)benzamide
CID 43016598
4-(methanesulfonamido)-3-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 133190622
2-[[3-(methanesulfonamido)-4-methylbenzoyl]amino]propanoic acid
CID 119225437
N-cyclopentyl-4-(methanesulfonamido)-3-methylbenzamide
CID 41466640
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 32567523
4-(methanesulfonamido)-3-methyl-N-prop-2-enylbenzamide
CID 41468209
3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 100565123
3-(methanesulfonamido)-4-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 36614257

Frequently Asked Questions

What is the IUPAC name of 4-(methanesulfonamido)-3-methyl-N-[(2S)-3-methylbutan-2-yl]benzamide?
The IUPAC name of 4-(methanesulfonamido)-3-methyl-N-[(2S)-3-methylbutan-2-yl]benzamide (CID 100566256) is 4-(methanesulfonamido)-3-methyl-N-[(2S)-3-methylbutan-2-yl]benzamide.
What is the SMILES notation for 4-(methanesulfonamido)-3-methyl-N-[(2S)-3-methylbutan-2-yl]benzamide?
The canonical SMILES for 4-(methanesulfonamido)-3-methyl-N-[(2S)-3-methylbutan-2-yl]benzamide is Cc1cc(C(=O)N[C@@H](C)C(C)C)ccc1NS(C)(=O)=O.
What is the InChIKey of 4-(methanesulfonamido)-3-methyl-N-[(2S)-3-methylbutan-2-yl]benzamide?
The InChIKey is ZCSLHMUDLBMKTL-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-9(2)11(4)15-14(17)12-6-7-13(10(3)8-12)16-20(5,18)19/h6-9,11,16H,1-5H3,(H,15,17)/t11-/m0/s1.
What are the key properties of 4-(methanesulfonamido)-3-methyl-N-[(2S)-3-methylbutan-2-yl]benzamide?
4-(methanesulfonamido)-3-methyl-N-[(2S)-3-methylbutan-2-yl]benzamide has a molecular weight of 298.41 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methanesulfonamido)-3-methyl-N-[(2S)-3-methylbutan-2-yl]benzamide is sourced from PubChem (CID 100566256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).