2-methyl-N-(6-sulfamoyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide

C14H20N2O3S — CID 71155399

IUPAC2-methyl-N-(6-sulfamoyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
SMILESCC(C)C(=O)NC1CCCc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C14H20N2O3S/c1-9(2)14(17)16-13-5-3-4-10-8-11(20(15,18)19)6-7-12(10)13/h6-9,13H,3-5H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyNQMYUZLJKFUENL-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.48
Rot. Bonds3

About 2-methyl-N-(6-sulfamoyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide

2-methyl-N-(6-sulfamoyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide (PubChem CID 71155399) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-methyl-N-(6-sulfamoyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(6-sulfamoyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
PubChem CID71155399
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name2-methyl-N-(6-sulfamoyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
SMILESCC(C)C(=O)NC1CCCc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C14H20N2O3S/c1-9(2)14(17)16-13-5-3-4-10-8-11(20(15,18)19)6-7-12(10)13/h6-9,13H,3-5H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyNQMYUZLJKFUENL-UHFFFAOYSA-N
XLogP1.48
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(6-sulfamoyl-1,2,3,4-tetrahydronaphthalen-1-yl)thiadiazole-5-carboxamide
CID 71145729
[1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl] 2-methyl-5-sulfamoylbenzoate
CID 42902645
(2R)-2-amino-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 119289450
(2R)-2-[(4-sulfamoylphenyl)methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 2449061
5-[(3-methyloxolan-3-yl)methylamino]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 167936513
(2S)-2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)propanamide;hydrochloride
CID 119300803
4-[(1R)-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]benzenesulfonamide
CID 97185991
2-amino-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-(oxan-4-yl)acetamide
CID 120787446
N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 56800355
[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-methoxy-5-sulfamoylbenzoate
CID 7467899
2-[(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]propanoic acid
CID 116650211
(2S)-2-propan-2-ylsulfonyl-N-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]propanamide
CID 94809577

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(6-sulfamoyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
The IUPAC name of 2-methyl-N-(6-sulfamoyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide (CID 71155399) is 2-methyl-N-(6-sulfamoyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide.
What is the SMILES notation for 2-methyl-N-(6-sulfamoyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
The canonical SMILES for 2-methyl-N-(6-sulfamoyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide is CC(C)C(=O)NC1CCCc2cc(S(N)(=O)=O)ccc21.
What is the InChIKey of 2-methyl-N-(6-sulfamoyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
The InChIKey is NQMYUZLJKFUENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-9(2)14(17)16-13-5-3-4-10-8-11(20(15,18)19)6-7-12(10)13/h6-9,13H,3-5H2,1-2H3,(H,16,17)(H2,15,18,19).
What are the key properties of 2-methyl-N-(6-sulfamoyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
2-methyl-N-(6-sulfamoyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide has a molecular weight of 296.39 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(6-sulfamoyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide is sourced from PubChem (CID 71155399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).