(2R)-2-(3,4-dihydronaphthalen-2-ylsulfonylamino)pent-4-ynamide

C15H16N2O3S — CID 97057371

IUPAC(2R)-2-(3,4-dihydronaphthalen-2-ylsulfonylamino)pent-4-ynamide
SMILESC#CC[C@@H](NS(=O)(=O)C1=Cc2ccccc2CC1)C(N)=O
InChIInChI=1S/C15H16N2O3S/c1-2-5-14(15(16)18)17-21(19,20)13-9-8-11-6-3-4-7-12(11)10-13/h1,3-4,6-7,10,14,17H,5,8-9H2,(H2,16,18)/t14-/m1/s1
InChIKeyWEYZQSSGNAVRHJ-CQSZACIVSA-N
MW304.37 g/mol
LogP0.77
Rot. Bonds5

About (2R)-2-(3,4-dihydronaphthalen-2-ylsulfonylamino)pent-4-ynamide

(2R)-2-(3,4-dihydronaphthalen-2-ylsulfonylamino)pent-4-ynamide (PubChem CID 97057371) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is (2R)-2-(3,4-dihydronaphthalen-2-ylsulfonylamino)pent-4-ynamide.

Molecular Properties

Compound Name(2R)-2-(3,4-dihydronaphthalen-2-ylsulfonylamino)pent-4-ynamide
PubChem CID97057371
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name(2R)-2-(3,4-dihydronaphthalen-2-ylsulfonylamino)pent-4-ynamide
SMILESC#CC[C@@H](NS(=O)(=O)C1=Cc2ccccc2CC1)C(N)=O
InChIInChI=1S/C15H16N2O3S/c1-2-5-14(15(16)18)17-21(19,20)13-9-8-11-6-3-4-7-12(11)10-13/h1,3-4,6-7,10,14,17H,5,8-9H2,(H2,16,18)/t14-/m1/s1
InChIKeyWEYZQSSGNAVRHJ-CQSZACIVSA-N
XLogP0.77
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,4-dihydronaphthalen-2-ylsulfonylamino)pent-4-ynamide?
The IUPAC name of (2R)-2-(3,4-dihydronaphthalen-2-ylsulfonylamino)pent-4-ynamide (CID 97057371) is (2R)-2-(3,4-dihydronaphthalen-2-ylsulfonylamino)pent-4-ynamide.
What is the SMILES notation for (2R)-2-(3,4-dihydronaphthalen-2-ylsulfonylamino)pent-4-ynamide?
The canonical SMILES for (2R)-2-(3,4-dihydronaphthalen-2-ylsulfonylamino)pent-4-ynamide is C#CC[C@@H](NS(=O)(=O)C1=Cc2ccccc2CC1)C(N)=O.
What is the InChIKey of (2R)-2-(3,4-dihydronaphthalen-2-ylsulfonylamino)pent-4-ynamide?
The InChIKey is WEYZQSSGNAVRHJ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-2-5-14(15(16)18)17-21(19,20)13-9-8-11-6-3-4-7-12(11)10-13/h1,3-4,6-7,10,14,17H,5,8-9H2,(H2,16,18)/t14-/m1/s1.
What are the key properties of (2R)-2-(3,4-dihydronaphthalen-2-ylsulfonylamino)pent-4-ynamide?
(2R)-2-(3,4-dihydronaphthalen-2-ylsulfonylamino)pent-4-ynamide has a molecular weight of 304.37 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,4-dihydronaphthalen-2-ylsulfonylamino)pent-4-ynamide is sourced from PubChem (CID 97057371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).