N-[(2R)-butan-2-yl]-2-(methanesulfonamido)benzamide

C12H18N2O3S — CID 967070

IUPACN-[(2R)-butan-2-yl]-2-(methanesulfonamido)benzamide
SMILESCC[C@@H](C)NC(=O)c1ccccc1NS(C)(=O)=O
InChIInChI=1S/C12H18N2O3S/c1-4-9(2)13-12(15)10-7-5-6-8-11(10)14-18(3,16)17/h5-9,14H,4H2,1-3H3,(H,13,15)/t9-/m1/s1
InChIKeyZBSUTVWUXVBKFI-SECBINFHSA-N
MW270.35 g/mol
LogP1.59
Rot. Bonds5

About N-[(2R)-butan-2-yl]-2-(methanesulfonamido)benzamide

N-[(2R)-butan-2-yl]-2-(methanesulfonamido)benzamide (PubChem CID 967070) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-2-(methanesulfonamido)benzamide
PubChem CID967070
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN-[(2R)-butan-2-yl]-2-(methanesulfonamido)benzamide
SMILESCC[C@@H](C)NC(=O)c1ccccc1NS(C)(=O)=O
InChIInChI=1S/C12H18N2O3S/c1-4-9(2)13-12(15)10-7-5-6-8-11(10)14-18(3,16)17/h5-9,14H,4H2,1-3H3,(H,13,15)/t9-/m1/s1
InChIKeyZBSUTVWUXVBKFI-SECBINFHSA-N
XLogP1.59
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-[[4-(methanesulfonamido)benzoyl]amino]benzamide
CID 2968059
N-butan-2-yl-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 51170211
N-butan-2-yl-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 2947064
N-butan-2-yl-2-(3-chloropropylsulfonylamino)benzamide
CID 43653866
N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-2-chloro-5-(methanesulfonamido)benzamide
CID 92675184
N-[(2R)-butan-2-yl]-2-(naphthalen-2-ylsulfonylamino)benzamide
CID 1289488
N-[(2S)-1-aminopropan-2-yl]-2-(ethylsulfonylamino)benzamide
CID 120505355
(2S)-2-[[2-(methanesulfonamido)benzoyl]amino]hexanoic acid
CID 120615522
N-[(2S)-butan-2-yl]-2-[(2-iodobenzoyl)amino]benzamide
CID 26244706
3-[[2-(methanesulfonamido)benzoyl]amino]-2-methylpropanoic acid
CID 119237314
N-butan-2-yl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzamide
CID 2948118
N-[(2S)-butan-2-yl]-2-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide
CID 100538267

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2-(methanesulfonamido)benzamide?
The IUPAC name of N-[(2R)-butan-2-yl]-2-(methanesulfonamido)benzamide (CID 967070) is N-[(2R)-butan-2-yl]-2-(methanesulfonamido)benzamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-2-(methanesulfonamido)benzamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-2-(methanesulfonamido)benzamide is CC[C@@H](C)NC(=O)c1ccccc1NS(C)(=O)=O.
What is the InChIKey of N-[(2R)-butan-2-yl]-2-(methanesulfonamido)benzamide?
The InChIKey is ZBSUTVWUXVBKFI-SECBINFHSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-4-9(2)13-12(15)10-7-5-6-8-11(10)14-18(3,16)17/h5-9,14H,4H2,1-3H3,(H,13,15)/t9-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-2-(methanesulfonamido)benzamide?
N-[(2R)-butan-2-yl]-2-(methanesulfonamido)benzamide has a molecular weight of 270.35 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-2-(methanesulfonamido)benzamide is sourced from PubChem (CID 967070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).