N-(3-aminopropyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide

C14H23N3O5S — CID 119408095

IUPACN-(3-aminopropyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(S(=O)(=O)NCCC(=O)NCCCN)cc1OC
InChIInChI=1S/C14H23N3O5S/c1-21-12-5-4-11(10-13(12)22-2)23(19,20)17-9-6-14(18)16-8-3-7-15/h4-5,10,17H,3,6-9,15H2,1-2H3,(H,16,18)
InChIKeyJXYMHULTKZGYBI-UHFFFAOYSA-N
MW345.42 g/mol
LogP-0.16
Rot. Bonds10

About N-(3-aminopropyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide

N-(3-aminopropyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide (PubChem CID 119408095) has the molecular formula C14H23N3O5S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
PubChem CID119408095
Molecular FormulaC14H23N3O5S
Molecular Weight345.42 g/mol
Exact Mass345.14
IUPAC NameN-(3-aminopropyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(S(=O)(=O)NCCC(=O)NCCCN)cc1OC
InChIInChI=1S/C14H23N3O5S/c1-21-12-5-4-11(10-13(12)22-2)23(19,20)17-9-6-14(18)16-8-3-7-15/h4-5,10,17H,3,6-9,15H2,1-2H3,(H,16,18)
InChIKeyJXYMHULTKZGYBI-UHFFFAOYSA-N
XLogP-0.16
TPSA119.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoylamino]acetic acid
CID 119171293
N-[(2S)-1-aminopropan-2-yl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 120509148
N-(3-aminopropyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 119408093
N-(3-aminopropyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 28754050
N-(3-aminopropyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride
CID 119404849
N-(3-aminopropyl)-4-fluoro-3-methoxybenzenesulfonamide
CID 120706784
methyl 4-(3-aminopropylsulfamoyl)-2-methoxybenzoate;hydrochloride
CID 120706751
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 119575169
3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]propanamide
CID 46473166
3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119558527
N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 34235016
N-(2-hydrazinyl-2-oxoethyl)-3,4-dimethoxybenzenesulfonamide
CID 126128860

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide?
The IUPAC name of N-(3-aminopropyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide (CID 119408095) is N-(3-aminopropyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(3-aminopropyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(3-aminopropyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide is COc1ccc(S(=O)(=O)NCCC(=O)NCCCN)cc1OC.
What is the InChIKey of N-(3-aminopropyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide?
The InChIKey is JXYMHULTKZGYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O5S/c1-21-12-5-4-11(10-13(12)22-2)23(19,20)17-9-6-14(18)16-8-3-7-15/h4-5,10,17H,3,6-9,15H2,1-2H3,(H,16,18).
What are the key properties of N-(3-aminopropyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide?
N-(3-aminopropyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide has a molecular weight of 345.42 g/mol, XLogP of -0.16, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 119408095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).