5-(propan-2-ylsulfonylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pentanamide

C18H28N2O3S — CID 20629238

IUPAC5-(propan-2-ylsulfonylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pentanamide
SMILESCC(C)S(=O)(=O)NCCCCC(=O)Nc1cccc2c1CCCC2
InChIInChI=1S/C18H28N2O3S/c1-14(2)24(22,23)19-13-6-5-12-18(21)20-17-11-7-9-15-8-3-4-10-16(15)17/h7,9,11,14,19H,3-6,8,10,12-13H2,1-2H3,(H,20,21)
InChIKeyUOBMYFFACWQHCR-UHFFFAOYSA-N
MW352.50 g/mol
LogP3.00
Rot. Bonds8

About 5-(propan-2-ylsulfonylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pentanamide

5-(propan-2-ylsulfonylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pentanamide (PubChem CID 20629238) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is 5-(propan-2-ylsulfonylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pentanamide.

Molecular Properties

Compound Name5-(propan-2-ylsulfonylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pentanamide
PubChem CID20629238
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC Name5-(propan-2-ylsulfonylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pentanamide
SMILESCC(C)S(=O)(=O)NCCCCC(=O)Nc1cccc2c1CCCC2
InChIInChI=1S/C18H28N2O3S/c1-14(2)24(22,23)19-13-6-5-12-18(21)20-17-11-7-9-15-8-3-4-10-16(15)17/h7,9,11,14,19H,3-6,8,10,12-13H2,1-2H3,(H,20,21)
InChIKeyUOBMYFFACWQHCR-UHFFFAOYSA-N
XLogP3.00
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(methanesulfonamido)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 47175572
5-oxo-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pentanoic acid
CID 17435174
N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide
CID 652088
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 42989426
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
N-(4-butylphenyl)-6-(propan-2-ylsulfonylamino)hexanamide
CID 20630493
ethane;N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 178170556
2-chloro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 18070040
N-(2-methylquinolin-4-yl)-5-(propan-2-ylsulfonylamino)pentanamide
CID 20629143
N-(2-propan-2-ylsulfonylethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 106722965

Frequently Asked Questions

What is the IUPAC name of 5-(propan-2-ylsulfonylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pentanamide?
The IUPAC name of 5-(propan-2-ylsulfonylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pentanamide (CID 20629238) is 5-(propan-2-ylsulfonylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pentanamide.
What is the SMILES notation for 5-(propan-2-ylsulfonylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pentanamide?
The canonical SMILES for 5-(propan-2-ylsulfonylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pentanamide is CC(C)S(=O)(=O)NCCCCC(=O)Nc1cccc2c1CCCC2.
What is the InChIKey of 5-(propan-2-ylsulfonylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pentanamide?
The InChIKey is UOBMYFFACWQHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-14(2)24(22,23)19-13-6-5-12-18(21)20-17-11-7-9-15-8-3-4-10-16(15)17/h7,9,11,14,19H,3-6,8,10,12-13H2,1-2H3,(H,20,21).
What are the key properties of 5-(propan-2-ylsulfonylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pentanamide?
5-(propan-2-ylsulfonylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pentanamide has a molecular weight of 352.50 g/mol, XLogP of 3.00, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propan-2-ylsulfonylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pentanamide is sourced from PubChem (CID 20629238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).