N-(1-methoxypropan-2-yl)-2,4,6-trimethyl-3-sulfamoylbenzamide

C14H22N2O4S — CID 65374186

IUPACN-(1-methoxypropan-2-yl)-2,4,6-trimethyl-3-sulfamoylbenzamide
SMILESCOCC(C)NC(=O)c1c(C)cc(C)c(S(N)(=O)=O)c1C
InChIInChI=1S/C14H22N2O4S/c1-8-6-9(2)13(21(15,18)19)11(4)12(8)14(17)16-10(3)7-20-5/h6,10H,7H2,1-5H3,(H,16,17)(H2,15,18,19)
InChIKeyVHPIMYLZETZGIZ-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.02
Rot. Bonds5

About N-(1-methoxypropan-2-yl)-2,4,6-trimethyl-3-sulfamoylbenzamide

N-(1-methoxypropan-2-yl)-2,4,6-trimethyl-3-sulfamoylbenzamide (PubChem CID 65374186) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-2,4,6-trimethyl-3-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-2,4,6-trimethyl-3-sulfamoylbenzamide
PubChem CID65374186
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC NameN-(1-methoxypropan-2-yl)-2,4,6-trimethyl-3-sulfamoylbenzamide
SMILESCOCC(C)NC(=O)c1c(C)cc(C)c(S(N)(=O)=O)c1C
InChIInChI=1S/C14H22N2O4S/c1-8-6-9(2)13(21(15,18)19)11(4)12(8)14(17)16-10(3)7-20-5/h6,10H,7H2,1-5H3,(H,16,17)(H2,15,18,19)
InChIKeyVHPIMYLZETZGIZ-UHFFFAOYSA-N
XLogP1.02
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2,4,6-trimethyl-3-sulfamoylbenzoate
CID 63839844
2,4,6-trimethyl-N-(2-methylbutan-2-yl)-3-sulfamoylbenzamide
CID 65373603
N-(1-methoxypropan-2-yl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 60718274
N-cyclopropyl-2,4,6-trimethyl-3-sulfamoylbenzamide
CID 65373441
2,6-dihydroxy-N-(1-methoxypropan-2-yl)benzamide
CID 103748891
2,4-dichloro-N-(1-methoxypropan-2-yl)-5-sulfamoylbenzamide
CID 60637644
N,2,4,6-tetramethyl-N-(2-methylpropyl)-3-sulfamoylbenzamide
CID 65388716
N-[(2R)-1-methoxypropan-2-yl]-3,4-dimethylbenzamide
CID 5390617
2,4-dichloro-6-hydroxy-N-[(2S)-1-methoxypropan-2-yl]benzamide
CID 96525639
4-(dimethylamino)-N-(1-methoxypropan-2-yl)-3-sulfamoylbenzamide
CID 65375926
3-(3-methoxypropylcarbamoyl)-2,4,6-trimethylbenzenesulfonyl chloride
CID 65368259
1-N,4-N-bis[(2R)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide
CID 25476067

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-2,4,6-trimethyl-3-sulfamoylbenzamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-2,4,6-trimethyl-3-sulfamoylbenzamide (CID 65374186) is N-(1-methoxypropan-2-yl)-2,4,6-trimethyl-3-sulfamoylbenzamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-2,4,6-trimethyl-3-sulfamoylbenzamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-2,4,6-trimethyl-3-sulfamoylbenzamide is COCC(C)NC(=O)c1c(C)cc(C)c(S(N)(=O)=O)c1C.
What is the InChIKey of N-(1-methoxypropan-2-yl)-2,4,6-trimethyl-3-sulfamoylbenzamide?
The InChIKey is VHPIMYLZETZGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-8-6-9(2)13(21(15,18)19)11(4)12(8)14(17)16-10(3)7-20-5/h6,10H,7H2,1-5H3,(H,16,17)(H2,15,18,19).
What are the key properties of N-(1-methoxypropan-2-yl)-2,4,6-trimethyl-3-sulfamoylbenzamide?
N-(1-methoxypropan-2-yl)-2,4,6-trimethyl-3-sulfamoylbenzamide has a molecular weight of 314.41 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-2,4,6-trimethyl-3-sulfamoylbenzamide is sourced from PubChem (CID 65374186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).