N-ethylbutan-1-amine;N-propyl-4-sulfamoylbenzamide

C16H29N3O3S — CID 68609461

IUPACN-ethylbutan-1-amine;N-propyl-4-sulfamoylbenzamide
SMILESCCCCNCC.CCCNC(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C10H14N2O3S.C6H15N/c1-2-7-12-10(13)8-3-5-9(6-4-8)16(11,14)15;1-3-5-6-7-4-2/h3-6H,2,7H2,1H3,(H,12,13)(H2,11,14,15);7H,3-6H2,1-2H3
InChIKeyZPMHJGUNEYHFDU-UHFFFAOYSA-N
MW343.49 g/mol
LogP1.87
Rot. Bonds8

About N-ethylbutan-1-amine;N-propyl-4-sulfamoylbenzamide

N-ethylbutan-1-amine;N-propyl-4-sulfamoylbenzamide (PubChem CID 68609461) has the molecular formula C16H29N3O3S and a molecular weight of 343.49 g/mol. Its IUPAC name is N-ethylbutan-1-amine;N-propyl-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-ethylbutan-1-amine;N-propyl-4-sulfamoylbenzamide
PubChem CID68609461
Molecular FormulaC16H29N3O3S
Molecular Weight343.49 g/mol
Exact Mass343.19
IUPAC NameN-ethylbutan-1-amine;N-propyl-4-sulfamoylbenzamide
SMILESCCCCNCC.CCCNC(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C10H14N2O3S.C6H15N/c1-2-7-12-10(13)8-3-5-9(6-4-8)16(11,14)15;1-3-5-6-7-4-2/h3-6H,2,7H2,1H3,(H,12,13)(H2,11,14,15);7H,3-6H2,1-2H3
InChIKeyZPMHJGUNEYHFDU-UHFFFAOYSA-N
XLogP1.87
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-ethylbutan-1-amine;N-propyl-4-sulfamoylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butylbutan-1-amine;N-propyl-4-sulfamoylbenzamide
CID 68610816
N-methylethanamine;N-propyl-4-sulfamoylbenzamide
CID 68599383
N-ethyl-4-sulfamoylbenzamide
CID 10242881
N-ethyl-4-sulfamoylbenzamide;N-methylmethanamine
CID 68596264
N-(3-oxobutyl)-4-sulfamoylbenzamide
CID 23579196
4-(tert-butylsulfamoyl)-N-[2-(ethylamino)ethyl]benzamide
CID 119505424
4-pentoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 17371674
N-butyl-4-(pentylsulfamoyl)benzamide
CID 109058608
methyl 6-[(4-sulfamoylbenzoyl)amino]hexanoate
CID 25181352
N-[2-(butylamino)ethyl]-4-methylbenzamide
CID 54880787
4-sulfamoyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
CID 79359507
4-(nonylcarbamoyl)benzenesulfonyl chloride
CID 110823481

Frequently Asked Questions

What is the IUPAC name of N-ethylbutan-1-amine;N-propyl-4-sulfamoylbenzamide?
The IUPAC name of N-ethylbutan-1-amine;N-propyl-4-sulfamoylbenzamide (CID 68609461) is N-ethylbutan-1-amine;N-propyl-4-sulfamoylbenzamide.
What is the SMILES notation for N-ethylbutan-1-amine;N-propyl-4-sulfamoylbenzamide?
The canonical SMILES for N-ethylbutan-1-amine;N-propyl-4-sulfamoylbenzamide is CCCCNCC.CCCNC(=O)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-ethylbutan-1-amine;N-propyl-4-sulfamoylbenzamide?
The InChIKey is ZPMHJGUNEYHFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S.C6H15N/c1-2-7-12-10(13)8-3-5-9(6-4-8)16(11,14)15;1-3-5-6-7-4-2/h3-6H,2,7H2,1H3,(H,12,13)(H2,11,14,15);7H,3-6H2,1-2H3.
What are the key properties of N-ethylbutan-1-amine;N-propyl-4-sulfamoylbenzamide?
N-ethylbutan-1-amine;N-propyl-4-sulfamoylbenzamide has a molecular weight of 343.49 g/mol, XLogP of 1.87, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylbutan-1-amine;N-propyl-4-sulfamoylbenzamide is sourced from PubChem (CID 68609461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).