N-(3,4-dihydronaphthalen-2-ylsulfonyl)-2-methoxy-2-phenylacetamide

C19H19NO4S — CID 60602780

IUPACN-(3,4-dihydronaphthalen-2-ylsulfonyl)-2-methoxy-2-phenylacetamide
SMILESCOC(C(=O)NS(=O)(=O)C1=Cc2ccccc2CC1)c1ccccc1
InChIInChI=1S/C19H19NO4S/c1-24-18(15-8-3-2-4-9-15)19(21)20-25(22,23)17-12-11-14-7-5-6-10-16(14)13-17/h2-10,13,18H,11-12H2,1H3,(H,20,21)
InChIKeyJAQKEGYHSMITRV-UHFFFAOYSA-N
MW357.43 g/mol
LogP2.81
Rot. Bonds5

About N-(3,4-dihydronaphthalen-2-ylsulfonyl)-2-methoxy-2-phenylacetamide

N-(3,4-dihydronaphthalen-2-ylsulfonyl)-2-methoxy-2-phenylacetamide (PubChem CID 60602780) has the molecular formula C19H19NO4S and a molecular weight of 357.43 g/mol. Its IUPAC name is N-(3,4-dihydronaphthalen-2-ylsulfonyl)-2-methoxy-2-phenylacetamide.

Molecular Properties

Compound NameN-(3,4-dihydronaphthalen-2-ylsulfonyl)-2-methoxy-2-phenylacetamide
PubChem CID60602780
Molecular FormulaC19H19NO4S
Molecular Weight357.43 g/mol
Exact Mass357.10
IUPAC NameN-(3,4-dihydronaphthalen-2-ylsulfonyl)-2-methoxy-2-phenylacetamide
SMILESCOC(C(=O)NS(=O)(=O)C1=Cc2ccccc2CC1)c1ccccc1
InChIInChI=1S/C19H19NO4S/c1-24-18(15-8-3-2-4-9-15)19(21)20-25(22,23)17-12-11-14-7-5-6-10-16(14)13-17/h2-10,13,18H,11-12H2,1H3,(H,20,21)
InChIKeyJAQKEGYHSMITRV-UHFFFAOYSA-N
XLogP2.81
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydronaphthalen-2-ylsulfonyl)-2-methoxy-2-phenylacetamide?
The IUPAC name of N-(3,4-dihydronaphthalen-2-ylsulfonyl)-2-methoxy-2-phenylacetamide (CID 60602780) is N-(3,4-dihydronaphthalen-2-ylsulfonyl)-2-methoxy-2-phenylacetamide.
What is the SMILES notation for N-(3,4-dihydronaphthalen-2-ylsulfonyl)-2-methoxy-2-phenylacetamide?
The canonical SMILES for N-(3,4-dihydronaphthalen-2-ylsulfonyl)-2-methoxy-2-phenylacetamide is COC(C(=O)NS(=O)(=O)C1=Cc2ccccc2CC1)c1ccccc1.
What is the InChIKey of N-(3,4-dihydronaphthalen-2-ylsulfonyl)-2-methoxy-2-phenylacetamide?
The InChIKey is JAQKEGYHSMITRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4S/c1-24-18(15-8-3-2-4-9-15)19(21)20-25(22,23)17-12-11-14-7-5-6-10-16(14)13-17/h2-10,13,18H,11-12H2,1H3,(H,20,21).
What are the key properties of N-(3,4-dihydronaphthalen-2-ylsulfonyl)-2-methoxy-2-phenylacetamide?
N-(3,4-dihydronaphthalen-2-ylsulfonyl)-2-methoxy-2-phenylacetamide has a molecular weight of 357.43 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydronaphthalen-2-ylsulfonyl)-2-methoxy-2-phenylacetamide is sourced from PubChem (CID 60602780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).