N-(3-aminopropyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide

C13H21N3O4S — CID 119407057

IUPACN-(3-aminopropyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCCN)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C13H21N3O4S/c1-16(2)21(18,19)12-9-10(5-6-11(12)20-3)13(17)15-8-4-7-14/h5-6,9H,4,7-8,14H2,1-3H3,(H,15,17)
InChIKeyXVZHKFFQKJODIG-UHFFFAOYSA-N
MW315.40 g/mol
LogP0.02
Rot. Bonds7

About N-(3-aminopropyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide

N-(3-aminopropyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide (PubChem CID 119407057) has the molecular formula C13H21N3O4S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
PubChem CID119407057
Molecular FormulaC13H21N3O4S
Molecular Weight315.40 g/mol
Exact Mass315.13
IUPAC NameN-(3-aminopropyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCCN)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C13H21N3O4S/c1-16(2)21(18,19)12-9-10(5-6-11(12)20-3)13(17)15-8-4-7-14/h5-6,9H,4,7-8,14H2,1-3H3,(H,15,17)
InChIKeyXVZHKFFQKJODIG-UHFFFAOYSA-N
XLogP0.02
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-aminopropyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide 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-(2-aminoethyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide;hydrochloride
CID 119383906
N-[4-(4-chlorophenoxy)butyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 24552489
3-(dimethylsulfamoyl)-4-methoxy-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 46562527
N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 51948819
3-(dimethylsulfamoyl)-4-methoxy-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 55396010
N-[(2S)-2-(dimethylamino)propyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 126838118
N-[(4-chlorophenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 8713091
3-(dimethylsulfamoyl)-4-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 55638847
[2-(butylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 7973340
3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 17027721
3-(dimethylsulfamoyl)-4-methoxy-N-[4-(3-methylpiperidin-1-yl)butyl]benzamide
CID 55717312
3-(dimethylsulfamoyl)-N-[(2R)-2-(ethylamino)propyl]-4-methoxybenzamide
CID 120650659

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide?
The IUPAC name of N-(3-aminopropyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide (CID 119407057) is N-(3-aminopropyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide.
What is the SMILES notation for N-(3-aminopropyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide?
The canonical SMILES for N-(3-aminopropyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide is COc1ccc(C(=O)NCCCN)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-(3-aminopropyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide?
The InChIKey is XVZHKFFQKJODIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-16(2)21(18,19)12-9-10(5-6-11(12)20-3)13(17)15-8-4-7-14/h5-6,9H,4,7-8,14H2,1-3H3,(H,15,17).
What are the key properties of N-(3-aminopropyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide?
N-(3-aminopropyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide has a molecular weight of 315.40 g/mol, XLogP of 0.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide is sourced from PubChem (CID 119407057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).