N-(2-cyclopropylpropyl)-2-methoxy-5-sulfamoylbenzamide

C14H20N2O4S — CID 115591271

IUPACN-(2-cyclopropylpropyl)-2-methoxy-5-sulfamoylbenzamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)NCC(C)C1CC1
InChIInChI=1S/C14H20N2O4S/c1-9(10-3-4-10)8-16-14(17)12-7-11(21(15,18)19)5-6-13(12)20-2/h5-7,9-10H,3-4,8H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyJKQNDMJYPWTTQI-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.12
Rot. Bonds6

About N-(2-cyclopropylpropyl)-2-methoxy-5-sulfamoylbenzamide

N-(2-cyclopropylpropyl)-2-methoxy-5-sulfamoylbenzamide (PubChem CID 115591271) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-(2-cyclopropylpropyl)-2-methoxy-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(2-cyclopropylpropyl)-2-methoxy-5-sulfamoylbenzamide
PubChem CID115591271
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN-(2-cyclopropylpropyl)-2-methoxy-5-sulfamoylbenzamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)NCC(C)C1CC1
InChIInChI=1S/C14H20N2O4S/c1-9(10-3-4-10)8-16-14(17)12-7-11(21(15,18)19)5-6-13(12)20-2/h5-7,9-10H,3-4,8H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyJKQNDMJYPWTTQI-UHFFFAOYSA-N
XLogP1.12
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-(2-methylbutyl)-5-sulfamoylbenzamide
CID 65388845
2-methoxy-N-[2-(methylamino)propyl]-5-sulfamoylbenzamide;hydrochloride
CID 120828882
N-ethyl-2-methoxy-5-sulfamoylbenzamide
CID 6473438
N-(1-cyclobutylethyl)-2-methoxy-5-sulfamoylbenzamide
CID 115769101
2-methoxy-N-(3-propan-2-yloxypropyl)-5-sulfamoylbenzamide
CID 9292499
N-(2-cyclobutylethyl)-2-methoxy-5-sulfamoylbenzamide
CID 115687261
N-butyl-2-methoxy-5-sulfamoylbenzamide
CID 31321939
2-methoxy-N-(oxolan-2-ylmethyl)-5-sulfamoylbenzamide
CID 4883084
2-methoxy-N-(5-methylhexan-2-yl)-5-sulfamoylbenzamide
CID 43019463
N-benzyl-2-methoxy-5-sulfamoylbenzamide
CID 827282
N-(2-cyclopropylpropyl)-2-hydroxy-3-methoxybenzamide
CID 115591215
N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-methoxy-5-sulfamoylbenzamide
CID 25494157

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylpropyl)-2-methoxy-5-sulfamoylbenzamide?
The IUPAC name of N-(2-cyclopropylpropyl)-2-methoxy-5-sulfamoylbenzamide (CID 115591271) is N-(2-cyclopropylpropyl)-2-methoxy-5-sulfamoylbenzamide.
What is the SMILES notation for N-(2-cyclopropylpropyl)-2-methoxy-5-sulfamoylbenzamide?
The canonical SMILES for N-(2-cyclopropylpropyl)-2-methoxy-5-sulfamoylbenzamide is COc1ccc(S(N)(=O)=O)cc1C(=O)NCC(C)C1CC1.
What is the InChIKey of N-(2-cyclopropylpropyl)-2-methoxy-5-sulfamoylbenzamide?
The InChIKey is JKQNDMJYPWTTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-9(10-3-4-10)8-16-14(17)12-7-11(21(15,18)19)5-6-13(12)20-2/h5-7,9-10H,3-4,8H2,1-2H3,(H,16,17)(H2,15,18,19).
What are the key properties of N-(2-cyclopropylpropyl)-2-methoxy-5-sulfamoylbenzamide?
N-(2-cyclopropylpropyl)-2-methoxy-5-sulfamoylbenzamide has a molecular weight of 312.39 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylpropyl)-2-methoxy-5-sulfamoylbenzamide is sourced from PubChem (CID 115591271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).