N-methylethanamine;N-propyl-4-sulfamoylbenzamide

C13H23N3O3S — CID 68599383

IUPACN-methylethanamine;N-propyl-4-sulfamoylbenzamide
SMILESCCCNC(=O)c1ccc(S(N)(=O)=O)cc1.CCNC
InChIInChI=1S/C10H14N2O3S.C3H9N/c1-2-7-12-10(13)8-3-5-9(6-4-8)16(11,14)15;1-3-4-2/h3-6H,2,7H2,1H3,(H,12,13)(H2,11,14,15);4H,3H2,1-2H3
InChIKeyJGAHKNCBGCNHDN-UHFFFAOYSA-N
MW301.41 g/mol
LogP0.70
Rot. Bonds5

About N-methylethanamine;N-propyl-4-sulfamoylbenzamide

N-methylethanamine;N-propyl-4-sulfamoylbenzamide (PubChem CID 68599383) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-methylethanamine;N-propyl-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-methylethanamine;N-propyl-4-sulfamoylbenzamide
PubChem CID68599383
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC NameN-methylethanamine;N-propyl-4-sulfamoylbenzamide
SMILESCCCNC(=O)c1ccc(S(N)(=O)=O)cc1.CCNC
InChIInChI=1S/C10H14N2O3S.C3H9N/c1-2-7-12-10(13)8-3-5-9(6-4-8)16(11,14)15;1-3-4-2/h3-6H,2,7H2,1H3,(H,12,13)(H2,11,14,15);4H,3H2,1-2H3
InChIKeyJGAHKNCBGCNHDN-UHFFFAOYSA-N
XLogP0.70
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethylbutan-1-amine;N-propyl-4-sulfamoylbenzamide
CID 68609461
N-butylbutan-1-amine;N-propyl-4-sulfamoylbenzamide
CID 68610816
N-ethyl-4-sulfamoylbenzamide;N-methylmethanamine
CID 68596264
N-ethyl-4-sulfamoylbenzamide
CID 10242881
N-(3-oxobutyl)-4-sulfamoylbenzamide
CID 23579196
N-[2-(2-methylpropoxy)ethyl]-4-sulfamoylbenzamide
CID 115590077
N-ethyl-4-[[(4-sulfamoylphenyl)sulfonylamino]methyl]benzamide
CID 55904950
methyl 6-[(4-sulfamoylbenzoyl)amino]hexanoate
CID 25181352
N-(2-methyl-2-methylsulfonylpropyl)-4-sulfamoylbenzamide
CID 79559148
4-pentoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 17371674
N-[(1-methylcyclopentyl)methyl]-4-sulfamoylbenzamide
CID 63821642
4-(111C)methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 56961355

Frequently Asked Questions

What is the IUPAC name of N-methylethanamine;N-propyl-4-sulfamoylbenzamide?
The IUPAC name of N-methylethanamine;N-propyl-4-sulfamoylbenzamide (CID 68599383) is N-methylethanamine;N-propyl-4-sulfamoylbenzamide.
What is the SMILES notation for N-methylethanamine;N-propyl-4-sulfamoylbenzamide?
The canonical SMILES for N-methylethanamine;N-propyl-4-sulfamoylbenzamide is CCCNC(=O)c1ccc(S(N)(=O)=O)cc1.CCNC.
What is the InChIKey of N-methylethanamine;N-propyl-4-sulfamoylbenzamide?
The InChIKey is JGAHKNCBGCNHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S.C3H9N/c1-2-7-12-10(13)8-3-5-9(6-4-8)16(11,14)15;1-3-4-2/h3-6H,2,7H2,1H3,(H,12,13)(H2,11,14,15);4H,3H2,1-2H3.
What are the key properties of N-methylethanamine;N-propyl-4-sulfamoylbenzamide?
N-methylethanamine;N-propyl-4-sulfamoylbenzamide has a molecular weight of 301.41 g/mol, XLogP of 0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylethanamine;N-propyl-4-sulfamoylbenzamide is sourced from PubChem (CID 68599383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).