N,N-dimethyl-4-propan-2-yloxy-3-sulfamoylbenzamide

C12H18N2O4S — CID 65374064

IUPACN,N-dimethyl-4-propan-2-yloxy-3-sulfamoylbenzamide
SMILESCC(C)Oc1ccc(C(=O)N(C)C)cc1S(N)(=O)=O
InChIInChI=1S/C12H18N2O4S/c1-8(2)18-10-6-5-9(12(15)14(3)4)7-11(10)19(13,16)17/h5-8H,1-4H3,(H2,13,16,17)
InChIKeyCJQASQQNYKOIJM-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.82
Rot. Bonds4

About N,N-dimethyl-4-propan-2-yloxy-3-sulfamoylbenzamide

N,N-dimethyl-4-propan-2-yloxy-3-sulfamoylbenzamide (PubChem CID 65374064) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is N,N-dimethyl-4-propan-2-yloxy-3-sulfamoylbenzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-propan-2-yloxy-3-sulfamoylbenzamide
PubChem CID65374064
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC NameN,N-dimethyl-4-propan-2-yloxy-3-sulfamoylbenzamide
SMILESCC(C)Oc1ccc(C(=O)N(C)C)cc1S(N)(=O)=O
InChIInChI=1S/C12H18N2O4S/c1-8(2)18-10-6-5-9(12(15)14(3)4)7-11(10)19(13,16)17/h5-8H,1-4H3,(H2,13,16,17)
InChIKeyCJQASQQNYKOIJM-UHFFFAOYSA-N
XLogP0.82
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-4-propan-2-yloxy-3-sulfamoylbenzamide
CID 65376123
4-bromo-N,N-dimethyl-3-propan-2-yloxybenzamide
CID 131254878
3-fluoro-N,N-dimethyl-4-sulfamoylbenzamide
CID 137443191
methyl 3-fluorosulfonyl-4-propan-2-yloxybenzoate
CID 165461434
3-chlorosulfonyl-4-propan-2-yloxybenzoic acid
CID 43145265
2,4-dimethoxy-N,N-dimethyl-5-sulfamoylbenzamide
CID 65373113
4-[2-(dimethylamino)-2-oxoethoxy]-3-sulfamoylbenzoic acid
CID 82921995
4-amino-N,N-dimethyl-3-methylsulfonylbenzamide
CID 63360505
4-bromo-3-(dimethylsulfamoyl)-N,N-dimethylbenzamide
CID 43011499
N-butyl-4-ethoxy-N-methyl-3-sulfamoylbenzamide
CID 65373100
N,4-dimethyl-N-(2-propan-2-yloxyethyl)-3-sulfamoylbenzamide
CID 80718372
3-amino-N,N-dimethyl-4-(4-methylpentan-2-yloxy)benzamide
CID 82993187

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-propan-2-yloxy-3-sulfamoylbenzamide?
The IUPAC name of N,N-dimethyl-4-propan-2-yloxy-3-sulfamoylbenzamide (CID 65374064) is N,N-dimethyl-4-propan-2-yloxy-3-sulfamoylbenzamide.
What is the SMILES notation for N,N-dimethyl-4-propan-2-yloxy-3-sulfamoylbenzamide?
The canonical SMILES for N,N-dimethyl-4-propan-2-yloxy-3-sulfamoylbenzamide is CC(C)Oc1ccc(C(=O)N(C)C)cc1S(N)(=O)=O.
What is the InChIKey of N,N-dimethyl-4-propan-2-yloxy-3-sulfamoylbenzamide?
The InChIKey is CJQASQQNYKOIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-8(2)18-10-6-5-9(12(15)14(3)4)7-11(10)19(13,16)17/h5-8H,1-4H3,(H2,13,16,17).
What are the key properties of N,N-dimethyl-4-propan-2-yloxy-3-sulfamoylbenzamide?
N,N-dimethyl-4-propan-2-yloxy-3-sulfamoylbenzamide has a molecular weight of 286.35 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-propan-2-yloxy-3-sulfamoylbenzamide is sourced from PubChem (CID 65374064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).