2-amino-6-ethoxy-N-[3-(methanesulfonamido)propyl]benzamide

C13H21N3O4S — CID 106332674

IUPAC2-amino-6-ethoxy-N-[3-(methanesulfonamido)propyl]benzamide
SMILESCCOc1cccc(N)c1C(=O)NCCCNS(C)(=O)=O
InChIInChI=1S/C13H21N3O4S/c1-3-20-11-7-4-6-10(14)12(11)13(17)15-8-5-9-16-21(2,18)19/h4,6-7,16H,3,5,8-9,14H2,1-2H3,(H,15,17)
InChIKeyXBAHMMXKADESNT-UHFFFAOYSA-N
MW315.39 g/mol
LogP0.34
Rot. Bonds8

About 2-amino-6-ethoxy-N-[3-(methanesulfonamido)propyl]benzamide

2-amino-6-ethoxy-N-[3-(methanesulfonamido)propyl]benzamide (PubChem CID 106332674) has the molecular formula C13H21N3O4S and a molecular weight of 315.39 g/mol. Its IUPAC name is 2-amino-6-ethoxy-N-[3-(methanesulfonamido)propyl]benzamide.

Molecular Properties

Compound Name2-amino-6-ethoxy-N-[3-(methanesulfonamido)propyl]benzamide
PubChem CID106332674
Molecular FormulaC13H21N3O4S
Molecular Weight315.39 g/mol
Exact Mass315.13
IUPAC Name2-amino-6-ethoxy-N-[3-(methanesulfonamido)propyl]benzamide
SMILESCCOc1cccc(N)c1C(=O)NCCCNS(C)(=O)=O
InChIInChI=1S/C13H21N3O4S/c1-3-20-11-7-4-6-10(14)12(11)13(17)15-8-5-9-16-21(2,18)19/h4,6-7,16H,3,5,8-9,14H2,1-2H3,(H,15,17)
InChIKeyXBAHMMXKADESNT-UHFFFAOYSA-N
XLogP0.34
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(5-amino-5-oxopentyl)-6-ethoxybenzamide
CID 106233209
2-amino-6-ethoxy-N-hex-5-ynylbenzamide
CID 106208141
2-amino-6-ethoxy-N-(4-propan-2-yloxybutyl)benzamide
CID 106006138
2-amino-N-(2,2-dimethylpropyl)-6-ethoxybenzamide
CID 81420510
methyl 2-[(2-amino-6-ethoxybenzoyl)amino]acetate
CID 81410265
2-amino-6-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 114464773
2-amino-6-ethoxy-N-(2-methylbutyl)benzamide
CID 81420937
2-amino-6-ethoxy-N-(3-hydroxy-2-methylpropyl)benzamide
CID 81420128
2-amino-N-(3-hydroxypropyl)-6-methoxybenzamide
CID 81421037
2-amino-6-ethoxy-N-(3-ethylpentan-3-yl)benzamide
CID 81420265
2-amino-6-ethoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 81420466
2-amino-N-cyclooctyl-6-ethoxybenzamide
CID 81396294

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-ethoxy-N-[3-(methanesulfonamido)propyl]benzamide?
The IUPAC name of 2-amino-6-ethoxy-N-[3-(methanesulfonamido)propyl]benzamide (CID 106332674) is 2-amino-6-ethoxy-N-[3-(methanesulfonamido)propyl]benzamide.
What is the SMILES notation for 2-amino-6-ethoxy-N-[3-(methanesulfonamido)propyl]benzamide?
The canonical SMILES for 2-amino-6-ethoxy-N-[3-(methanesulfonamido)propyl]benzamide is CCOc1cccc(N)c1C(=O)NCCCNS(C)(=O)=O.
What is the InChIKey of 2-amino-6-ethoxy-N-[3-(methanesulfonamido)propyl]benzamide?
The InChIKey is XBAHMMXKADESNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-3-20-11-7-4-6-10(14)12(11)13(17)15-8-5-9-16-21(2,18)19/h4,6-7,16H,3,5,8-9,14H2,1-2H3,(H,15,17).
What are the key properties of 2-amino-6-ethoxy-N-[3-(methanesulfonamido)propyl]benzamide?
2-amino-6-ethoxy-N-[3-(methanesulfonamido)propyl]benzamide has a molecular weight of 315.39 g/mol, XLogP of 0.34, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-ethoxy-N-[3-(methanesulfonamido)propyl]benzamide is sourced from PubChem (CID 106332674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).