3-(methanesulfonamido)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide

C14H20N2O3S — CID 47175572

IUPAC3-(methanesulfonamido)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
SMILESCS(=O)(=O)NCCC(=O)Nc1cccc2c1CCCC2
InChIInChI=1S/C14H20N2O3S/c1-20(18,19)15-10-9-14(17)16-13-8-4-6-11-5-2-3-7-12(11)13/h4,6,8,15H,2-3,5,7,9-10H2,1H3,(H,16,17)
InChIKeyFXRZKPMLHJXXKL-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.44
Rot. Bonds5

About 3-(methanesulfonamido)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide

3-(methanesulfonamido)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide (PubChem CID 47175572) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 3-(methanesulfonamido)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
PubChem CID47175572
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name3-(methanesulfonamido)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
SMILESCS(=O)(=O)NCCC(=O)Nc1cccc2c1CCCC2
InChIInChI=1S/C14H20N2O3S/c1-20(18,19)15-10-9-14(17)16-13-8-4-6-11-5-2-3-7-12(11)13/h4,6,8,15H,2-3,5,7,9-10H2,1H3,(H,16,17)
InChIKeyFXRZKPMLHJXXKL-UHFFFAOYSA-N
XLogP1.44
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,5-dimethylphenyl)sulfonylamino]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 42989426
N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide
CID 652088
5-(propan-2-ylsulfonylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pentanamide
CID 20629238
5-oxo-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pentanoic acid
CID 17435174
S-[3-oxo-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propyl] ethanethioate
CID 88670492
2-amino-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 24708933
2-methoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 17386781
4-bromo-N-[3-oxo-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propyl]benzamide
CID 26515879
ethane;N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 178170556
N-[3-oxo-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propyl]naphthalene-2-carboxamide
CID 46589497
2-(4-hydroxyphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 78838548
tert-butyl N-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethyl]carbamate
CID 60596283

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide?
The IUPAC name of 3-(methanesulfonamido)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide (CID 47175572) is 3-(methanesulfonamido)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide.
What is the SMILES notation for 3-(methanesulfonamido)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide?
The canonical SMILES for 3-(methanesulfonamido)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide is CS(=O)(=O)NCCC(=O)Nc1cccc2c1CCCC2.
What is the InChIKey of 3-(methanesulfonamido)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide?
The InChIKey is FXRZKPMLHJXXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-20(18,19)15-10-9-14(17)16-13-8-4-6-11-5-2-3-7-12(11)13/h4,6,8,15H,2-3,5,7,9-10H2,1H3,(H,16,17).
What are the key properties of 3-(methanesulfonamido)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide?
3-(methanesulfonamido)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide has a molecular weight of 296.39 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide is sourced from PubChem (CID 47175572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).