3-(methanesulfonamido)-2-methoxy-5-propan-2-ylbenzamide

C12H18N2O4S — CID 66769044

IUPAC3-(methanesulfonamido)-2-methoxy-5-propan-2-ylbenzamide
SMILESCOc1c(NS(C)(=O)=O)cc(C(C)C)cc1C(N)=O
InChIInChI=1S/C12H18N2O4S/c1-7(2)8-5-9(12(13)15)11(18-3)10(6-8)14-19(4,16)17/h5-7,14H,1-4H3,(H2,13,15)
InChIKeyWXVMWWGOKHLUSM-UHFFFAOYSA-N
MW286.35 g/mol
LogP1.29
Rot. Bonds5

About 3-(methanesulfonamido)-2-methoxy-5-propan-2-ylbenzamide

3-(methanesulfonamido)-2-methoxy-5-propan-2-ylbenzamide (PubChem CID 66769044) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 3-(methanesulfonamido)-2-methoxy-5-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-2-methoxy-5-propan-2-ylbenzamide
PubChem CID66769044
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name3-(methanesulfonamido)-2-methoxy-5-propan-2-ylbenzamide
SMILESCOc1c(NS(C)(=O)=O)cc(C(C)C)cc1C(N)=O
InChIInChI=1S/C12H18N2O4S/c1-7(2)8-5-9(12(13)15)11(18-3)10(6-8)14-19(4,16)17/h5-7,14H,1-4H3,(H2,13,15)
InChIKeyWXVMWWGOKHLUSM-UHFFFAOYSA-N
XLogP1.29
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 ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-2-oxoacetamide
CID 69399643
methyl 3-amino-2-methoxy-5-propan-2-ylbenzoate
CID 50882291
3-chloro-2-methoxy-5-propan-2-ylbenzohydrazide
CID 50882310
2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]benzamide
CID 91824572
1-(2,3-dimethoxy-5-propan-2-ylphenyl)-2-(methylamino)ethanone
CID 117381796
N-(2-amino-4-propan-2-ylphenyl)methanesulfonamide
CID 165395183
N-(2-acetyl-4,5-dimethoxyphenyl)methanesulfonamide
CID 70115907
1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)ethanone
CID 83892755
5-chloro-2-methoxy-3-[(1-methoxycyclobutyl)methylsulfonylamino]benzamide
CID 167963019
2-chloro-4-fluoro-5-(methanesulfonamido)benzamide;hydrochloride
CID 141137418
N-[4-(methanesulfonamido)-3-methoxyphenyl]-2-(3-propan-2-ylphenoxy)acetamide
CID 55639184
methyl 5-(methanesulfonamido)-2-methoxy-4-methylbenzoate
CID 91623000

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-2-methoxy-5-propan-2-ylbenzamide?
The IUPAC name of 3-(methanesulfonamido)-2-methoxy-5-propan-2-ylbenzamide (CID 66769044) is 3-(methanesulfonamido)-2-methoxy-5-propan-2-ylbenzamide.
What is the SMILES notation for 3-(methanesulfonamido)-2-methoxy-5-propan-2-ylbenzamide?
The canonical SMILES for 3-(methanesulfonamido)-2-methoxy-5-propan-2-ylbenzamide is COc1c(NS(C)(=O)=O)cc(C(C)C)cc1C(N)=O.
What is the InChIKey of 3-(methanesulfonamido)-2-methoxy-5-propan-2-ylbenzamide?
The InChIKey is WXVMWWGOKHLUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-7(2)8-5-9(12(13)15)11(18-3)10(6-8)14-19(4,16)17/h5-7,14H,1-4H3,(H2,13,15).
What are the key properties of 3-(methanesulfonamido)-2-methoxy-5-propan-2-ylbenzamide?
3-(methanesulfonamido)-2-methoxy-5-propan-2-ylbenzamide has a molecular weight of 286.35 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-2-methoxy-5-propan-2-ylbenzamide is sourced from PubChem (CID 66769044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).