N-(1-methoxybutan-2-yl)-2,3-dimethyl-5-sulfamoylbenzamide

C14H22N2O4S — CID 65379978

IUPACN-(1-methoxybutan-2-yl)-2,3-dimethyl-5-sulfamoylbenzamide
SMILESCCC(COC)NC(=O)c1cc(S(N)(=O)=O)cc(C)c1C
InChIInChI=1S/C14H22N2O4S/c1-5-11(8-20-4)16-14(17)13-7-12(21(15,18)19)6-9(2)10(13)3/h6-7,11H,5,8H2,1-4H3,(H,16,17)(H2,15,18,19)
InChIKeyBYNOMOPLKZGHFG-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.11
Rot. Bonds6

About N-(1-methoxybutan-2-yl)-2,3-dimethyl-5-sulfamoylbenzamide

N-(1-methoxybutan-2-yl)-2,3-dimethyl-5-sulfamoylbenzamide (PubChem CID 65379978) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-(1-methoxybutan-2-yl)-2,3-dimethyl-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(1-methoxybutan-2-yl)-2,3-dimethyl-5-sulfamoylbenzamide
PubChem CID65379978
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC NameN-(1-methoxybutan-2-yl)-2,3-dimethyl-5-sulfamoylbenzamide
SMILESCCC(COC)NC(=O)c1cc(S(N)(=O)=O)cc(C)c1C
InChIInChI=1S/C14H22N2O4S/c1-5-11(8-20-4)16-14(17)13-7-12(21(15,18)19)6-9(2)10(13)3/h6-7,11H,5,8H2,1-4H3,(H,16,17)(H2,15,18,19)
InChIKeyBYNOMOPLKZGHFG-UHFFFAOYSA-N
XLogP1.11
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dimethyl-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide
CID 65387258
2-chloro-3-fluoro-N-(1-methoxybutan-2-yl)-5-sulfamoylbenzamide
CID 81454215
methyl (2S)-2-[(2,3-dimethyl-5-sulfamoylbenzoyl)amino]-3-methylbutanoate
CID 125135704
2,4-dichloro-N-(1-methoxybutan-2-yl)-5-sulfamoylbenzamide
CID 64688965
ethyl 2,3-dimethyl-5-sulfamoylbenzoate
CID 63840159
N-(2-methoxyethyl)-N,2,3-trimethyl-5-sulfamoylbenzamide
CID 65387633
N-(1-cyclopropylethyl)-2,3-dimethyl-5-sulfamoylbenzamide
CID 65389131
5-bromo-N-(1-methoxybutan-2-yl)-2-methylbenzamide
CID 65311170
2-propan-2-yloxyethyl 2,3-dimethyl-5-sulfamoylbenzoate
CID 65382072
2,3-dimethyl-5-sulfamoylbenzamide
CID 65373668
4-methoxy-N-(1-methoxybutan-2-yl)-3-sulfamoylbenzamide
CID 64688964
2-fluoro-3-methyl-N-propan-2-yl-5-sulfamoylbenzamide
CID 81478779

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxybutan-2-yl)-2,3-dimethyl-5-sulfamoylbenzamide?
The IUPAC name of N-(1-methoxybutan-2-yl)-2,3-dimethyl-5-sulfamoylbenzamide (CID 65379978) is N-(1-methoxybutan-2-yl)-2,3-dimethyl-5-sulfamoylbenzamide.
What is the SMILES notation for N-(1-methoxybutan-2-yl)-2,3-dimethyl-5-sulfamoylbenzamide?
The canonical SMILES for N-(1-methoxybutan-2-yl)-2,3-dimethyl-5-sulfamoylbenzamide is CCC(COC)NC(=O)c1cc(S(N)(=O)=O)cc(C)c1C.
What is the InChIKey of N-(1-methoxybutan-2-yl)-2,3-dimethyl-5-sulfamoylbenzamide?
The InChIKey is BYNOMOPLKZGHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-5-11(8-20-4)16-14(17)13-7-12(21(15,18)19)6-9(2)10(13)3/h6-7,11H,5,8H2,1-4H3,(H,16,17)(H2,15,18,19).
What are the key properties of N-(1-methoxybutan-2-yl)-2,3-dimethyl-5-sulfamoylbenzamide?
N-(1-methoxybutan-2-yl)-2,3-dimethyl-5-sulfamoylbenzamide has a molecular weight of 314.41 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxybutan-2-yl)-2,3-dimethyl-5-sulfamoylbenzamide is sourced from PubChem (CID 65379978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).