N-[4-(azepan-1-ylsulfonyl)phenyl]-2-naphthalen-2-yloxyacetamide

C24H26N2O4S — CID 1010518

IUPACN-[4-(azepan-1-ylsulfonyl)phenyl]-2-naphthalen-2-yloxyacetamide
SMILESO=C(COc1ccc2ccccc2c1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1
InChIInChI=1S/C24H26N2O4S/c27-24(18-30-22-12-9-19-7-3-4-8-20(19)17-22)25-21-10-13-23(14-11-21)31(28,29)26-15-5-1-2-6-16-26/h3-4,7-14,17H,1-2,5-6,15-16,18H2,(H,25,27)
InChIKeyGNUHIBQJDNUIFC-UHFFFAOYSA-N
MW438.55 g/mol
LogP4.42
Rot. Bonds6

About N-[4-(azepan-1-ylsulfonyl)phenyl]-2-naphthalen-2-yloxyacetamide

N-[4-(azepan-1-ylsulfonyl)phenyl]-2-naphthalen-2-yloxyacetamide (PubChem CID 1010518) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-[4-(azepan-1-ylsulfonyl)phenyl]-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-[4-(azepan-1-ylsulfonyl)phenyl]-2-naphthalen-2-yloxyacetamide
PubChem CID1010518
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC NameN-[4-(azepan-1-ylsulfonyl)phenyl]-2-naphthalen-2-yloxyacetamide
SMILESO=C(COc1ccc2ccccc2c1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1
InChIInChI=1S/C24H26N2O4S/c27-24(18-30-22-12-9-19-7-3-4-8-20(19)17-22)25-21-10-13-23(14-11-21)31(28,29)26-15-5-1-2-6-16-26/h3-4,7-14,17H,1-2,5-6,15-16,18H2,(H,25,27)
InChIKeyGNUHIBQJDNUIFC-UHFFFAOYSA-N
XLogP4.42
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(azepan-1-ylsulfonyl)phenyl]-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-[4-(azepan-1-ylsulfonyl)phenyl]-2-naphthalen-2-yloxyacetamide (CID 1010518) is N-[4-(azepan-1-ylsulfonyl)phenyl]-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-[4-(azepan-1-ylsulfonyl)phenyl]-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-[4-(azepan-1-ylsulfonyl)phenyl]-2-naphthalen-2-yloxyacetamide is O=C(COc1ccc2ccccc2c1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1.
What is the InChIKey of N-[4-(azepan-1-ylsulfonyl)phenyl]-2-naphthalen-2-yloxyacetamide?
The InChIKey is GNUHIBQJDNUIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c27-24(18-30-22-12-9-19-7-3-4-8-20(19)17-22)25-21-10-13-23(14-11-21)31(28,29)26-15-5-1-2-6-16-26/h3-4,7-14,17H,1-2,5-6,15-16,18H2,(H,25,27).
What are the key properties of N-[4-(azepan-1-ylsulfonyl)phenyl]-2-naphthalen-2-yloxyacetamide?
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-naphthalen-2-yloxyacetamide has a molecular weight of 438.55 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azepan-1-ylsulfonyl)phenyl]-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 1010518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).