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

C18H33N3O3S — CID 68610816

IUPACN-butylbutan-1-amine;N-propyl-4-sulfamoylbenzamide
SMILESCCCCNCCCC.CCCNC(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C10H14N2O3S.C8H19N/c1-2-7-12-10(13)8-3-5-9(6-4-8)16(11,14)15;1-3-5-7-9-8-6-4-2/h3-6H,2,7H2,1H3,(H,12,13)(H2,11,14,15);9H,3-8H2,1-2H3
InChIKeyPDMVZVPLBVUOHC-UHFFFAOYSA-N
MW371.55 g/mol
LogP2.65
Rot. Bonds10

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

N-butylbutan-1-amine;N-propyl-4-sulfamoylbenzamide (PubChem CID 68610816) has the molecular formula C18H33N3O3S and a molecular weight of 371.55 g/mol. Its IUPAC name is N-butylbutan-1-amine;N-propyl-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-butylbutan-1-amine;N-propyl-4-sulfamoylbenzamide
PubChem CID68610816
Molecular FormulaC18H33N3O3S
Molecular Weight371.55 g/mol
Exact Mass371.22
IUPAC NameN-butylbutan-1-amine;N-propyl-4-sulfamoylbenzamide
SMILESCCCCNCCCC.CCCNC(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C10H14N2O3S.C8H19N/c1-2-7-12-10(13)8-3-5-9(6-4-8)16(11,14)15;1-3-5-7-9-8-6-4-2/h3-6H,2,7H2,1H3,(H,12,13)(H2,11,14,15);9H,3-8H2,1-2H3
InChIKeyPDMVZVPLBVUOHC-UHFFFAOYSA-N
XLogP2.65
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.55
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethylbutan-1-amine;N-propyl-4-sulfamoylbenzamide
CID 68609461
N-methylethanamine;N-propyl-4-sulfamoylbenzamide
CID 68599383
N-ethyl-4-sulfamoylbenzamide
CID 10242881
N-(3-oxobutyl)-4-sulfamoylbenzamide
CID 23579196
N-ethyl-4-sulfamoylbenzamide;N-methylmethanamine
CID 68596264
N-[2-(butylamino)ethyl]-4-methylbenzamide
CID 54880787
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
4-(nonylcarbamoyl)benzenesulfonyl chloride
CID 110823481
4-sulfamoyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
CID 79359507
N-butyl-3-chloro-5-sulfamoylbenzamide
CID 65374212

Frequently Asked Questions

What is the IUPAC name of N-butylbutan-1-amine;N-propyl-4-sulfamoylbenzamide?
The IUPAC name of N-butylbutan-1-amine;N-propyl-4-sulfamoylbenzamide (CID 68610816) is N-butylbutan-1-amine;N-propyl-4-sulfamoylbenzamide.
What is the SMILES notation for N-butylbutan-1-amine;N-propyl-4-sulfamoylbenzamide?
The canonical SMILES for N-butylbutan-1-amine;N-propyl-4-sulfamoylbenzamide is CCCCNCCCC.CCCNC(=O)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-butylbutan-1-amine;N-propyl-4-sulfamoylbenzamide?
The InChIKey is PDMVZVPLBVUOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S.C8H19N/c1-2-7-12-10(13)8-3-5-9(6-4-8)16(11,14)15;1-3-5-7-9-8-6-4-2/h3-6H,2,7H2,1H3,(H,12,13)(H2,11,14,15);9H,3-8H2,1-2H3.
What are the key properties of N-butylbutan-1-amine;N-propyl-4-sulfamoylbenzamide?
N-butylbutan-1-amine;N-propyl-4-sulfamoylbenzamide has a molecular weight of 371.55 g/mol, XLogP of 2.65, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylbutan-1-amine;N-propyl-4-sulfamoylbenzamide is sourced from PubChem (CID 68610816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).