N-[1-(4-propan-2-ylphenoxy)propan-2-yl]naphthalene-2-sulfinamide

C22H25NO2S — CID 2929294

IUPACN-[1-(4-propan-2-ylphenoxy)propan-2-yl]naphthalene-2-sulfinamide
SMILESCC(COc1ccc(C(C)C)cc1)NS(=O)c1ccc2ccccc2c1
InChIInChI=1S/C22H25NO2S/c1-16(2)18-8-11-21(12-9-18)25-15-17(3)23-26(24)22-13-10-19-6-4-5-7-20(19)14-22/h4-14,16-17,23H,15H2,1-3H3
InChIKeyCNSKUMVSTFPOLQ-UHFFFAOYSA-N
MW367.51 g/mol
LogP5.04
Rot. Bonds7

About N-[1-(4-propan-2-ylphenoxy)propan-2-yl]naphthalene-2-sulfinamide

N-[1-(4-propan-2-ylphenoxy)propan-2-yl]naphthalene-2-sulfinamide (PubChem CID 2929294) has the molecular formula C22H25NO2S and a molecular weight of 367.51 g/mol. Its IUPAC name is N-[1-(4-propan-2-ylphenoxy)propan-2-yl]naphthalene-2-sulfinamide.

Molecular Properties

Compound NameN-[1-(4-propan-2-ylphenoxy)propan-2-yl]naphthalene-2-sulfinamide
PubChem CID2929294
Molecular FormulaC22H25NO2S
Molecular Weight367.51 g/mol
Exact Mass367.16
IUPAC NameN-[1-(4-propan-2-ylphenoxy)propan-2-yl]naphthalene-2-sulfinamide
SMILESCC(COc1ccc(C(C)C)cc1)NS(=O)c1ccc2ccccc2c1
InChIInChI=1S/C22H25NO2S/c1-16(2)18-8-11-21(12-9-18)25-15-17(3)23-26(24)22-13-10-19-6-4-5-7-20(19)14-22/h4-14,16-17,23H,15H2,1-3H3
InChIKeyCNSKUMVSTFPOLQ-UHFFFAOYSA-N
XLogP5.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.51
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-propan-2-ylphenoxy)propan-2-yl]naphthalene-2-sulfinamide?
The IUPAC name of N-[1-(4-propan-2-ylphenoxy)propan-2-yl]naphthalene-2-sulfinamide (CID 2929294) is N-[1-(4-propan-2-ylphenoxy)propan-2-yl]naphthalene-2-sulfinamide.
What is the SMILES notation for N-[1-(4-propan-2-ylphenoxy)propan-2-yl]naphthalene-2-sulfinamide?
The canonical SMILES for N-[1-(4-propan-2-ylphenoxy)propan-2-yl]naphthalene-2-sulfinamide is CC(COc1ccc(C(C)C)cc1)NS(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[1-(4-propan-2-ylphenoxy)propan-2-yl]naphthalene-2-sulfinamide?
The InChIKey is CNSKUMVSTFPOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2S/c1-16(2)18-8-11-21(12-9-18)25-15-17(3)23-26(24)22-13-10-19-6-4-5-7-20(19)14-22/h4-14,16-17,23H,15H2,1-3H3.
What are the key properties of N-[1-(4-propan-2-ylphenoxy)propan-2-yl]naphthalene-2-sulfinamide?
N-[1-(4-propan-2-ylphenoxy)propan-2-yl]naphthalene-2-sulfinamide has a molecular weight of 367.51 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-propan-2-ylphenoxy)propan-2-yl]naphthalene-2-sulfinamide is sourced from PubChem (CID 2929294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).