N-[(2R)-butan-2-yl]-4-methoxy-3-sulfamoylbenzamide

C12H18N2O4S — CID 96561901

IUPACN-[(2R)-butan-2-yl]-4-methoxy-3-sulfamoylbenzamide
SMILESCC[C@@H](C)NC(=O)c1ccc(OC)c(S(N)(=O)=O)c1
InChIInChI=1S/C12H18N2O4S/c1-4-8(2)14-12(15)9-5-6-10(18-3)11(7-9)19(13,16)17/h5-8H,4H2,1-3H3,(H,14,15)(H2,13,16,17)/t8-/m1/s1
InChIKeyOFRMLWFXYRVIRL-MRVPVSSYSA-N
MW286.35 g/mol
LogP0.87
Rot. Bonds5

About N-[(2R)-butan-2-yl]-4-methoxy-3-sulfamoylbenzamide

N-[(2R)-butan-2-yl]-4-methoxy-3-sulfamoylbenzamide (PubChem CID 96561901) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-4-methoxy-3-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-4-methoxy-3-sulfamoylbenzamide
PubChem CID96561901
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC NameN-[(2R)-butan-2-yl]-4-methoxy-3-sulfamoylbenzamide
SMILESCC[C@@H](C)NC(=O)c1ccc(OC)c(S(N)(=O)=O)c1
InChIInChI=1S/C12H18N2O4S/c1-4-8(2)14-12(15)9-5-6-10(18-3)11(7-9)19(13,16)17/h5-8H,4H2,1-3H3,(H,14,15)(H2,13,16,17)/t8-/m1/s1
InChIKeyOFRMLWFXYRVIRL-MRVPVSSYSA-N
XLogP0.87
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethoxypropan-2-yl)-4-methoxy-3-sulfamoylbenzamide
CID 65389004
N-butan-2-yl-4-ethoxy-3-sulfamoylbenzamide
CID 60722617
4-methoxy-N-(4-methoxybutan-2-yl)-3-sulfamoylbenzamide
CID 65381397
N-butan-2-yl-3-(ethylsulfamoyl)-4-methoxybenzamide
CID 17027131
N-butan-2-yl-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 45373494
4-methoxy-N-(1-methoxybutan-2-yl)-3-sulfamoylbenzamide
CID 64688964
N-butan-2-yl-4-methyl-3-sulfamoylbenzamide
CID 60681995
3-amino-N-[(2S)-butan-2-yl]-4-methoxybenzamide
CID 28690052
N-[(2S)-butan-2-yl]-4-methoxy-3-methylbenzamide
CID 40922017
3-[(4-bromophenyl)sulfamoyl]-N-butan-2-yl-4-methoxybenzamide
CID 43002606
N-[(2R)-butan-2-yl]-3-iodo-4-methoxybenzamide
CID 41370948
N-[(2S)-butan-2-yl]-3-ethoxy-4-methoxybenzamide
CID 94335981

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-4-methoxy-3-sulfamoylbenzamide?
The IUPAC name of N-[(2R)-butan-2-yl]-4-methoxy-3-sulfamoylbenzamide (CID 96561901) is N-[(2R)-butan-2-yl]-4-methoxy-3-sulfamoylbenzamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-4-methoxy-3-sulfamoylbenzamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-4-methoxy-3-sulfamoylbenzamide is CC[C@@H](C)NC(=O)c1ccc(OC)c(S(N)(=O)=O)c1.
What is the InChIKey of N-[(2R)-butan-2-yl]-4-methoxy-3-sulfamoylbenzamide?
The InChIKey is OFRMLWFXYRVIRL-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-4-8(2)14-12(15)9-5-6-10(18-3)11(7-9)19(13,16)17/h5-8H,4H2,1-3H3,(H,14,15)(H2,13,16,17)/t8-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-4-methoxy-3-sulfamoylbenzamide?
N-[(2R)-butan-2-yl]-4-methoxy-3-sulfamoylbenzamide has a molecular weight of 286.35 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-4-methoxy-3-sulfamoylbenzamide is sourced from PubChem (CID 96561901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).