2-ethoxy-5-morpholin-4-ylsulfonyl-N-(naphthalen-2-ylmethyl)aniline

C23H26N2O4S — CID 112811153

IUPAC2-ethoxy-5-morpholin-4-ylsulfonyl-N-(naphthalen-2-ylmethyl)aniline
SMILESCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NCc1ccc2ccccc2c1
InChIInChI=1S/C23H26N2O4S/c1-2-29-23-10-9-21(30(26,27)25-11-13-28-14-12-25)16-22(23)24-17-18-7-8-19-5-3-4-6-20(19)15-18/h3-10,15-16,24H,2,11-14,17H2,1H3
InChIKeyLLKQOBISGSBKCE-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.87
Rot. Bonds7

About 2-ethoxy-5-morpholin-4-ylsulfonyl-N-(naphthalen-2-ylmethyl)aniline

2-ethoxy-5-morpholin-4-ylsulfonyl-N-(naphthalen-2-ylmethyl)aniline (PubChem CID 112811153) has the molecular formula C23H26N2O4S and a molecular weight of 426.54 g/mol. Its IUPAC name is 2-ethoxy-5-morpholin-4-ylsulfonyl-N-(naphthalen-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-ethoxy-5-morpholin-4-ylsulfonyl-N-(naphthalen-2-ylmethyl)aniline
PubChem CID112811153
Molecular FormulaC23H26N2O4S
Molecular Weight426.54 g/mol
Exact Mass426.16
IUPAC Name2-ethoxy-5-morpholin-4-ylsulfonyl-N-(naphthalen-2-ylmethyl)aniline
SMILESCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NCc1ccc2ccccc2c1
InChIInChI=1S/C23H26N2O4S/c1-2-29-23-10-9-21(30(26,27)25-11-13-28-14-12-25)16-22(23)24-17-18-7-8-19-5-3-4-6-20(19)15-18/h3-10,15-16,24H,2,11-14,17H2,1H3
InChIKeyLLKQOBISGSBKCE-UHFFFAOYSA-N
XLogP3.87
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-morpholin-4-ylsulfonylphenyl)-N-(naphthalen-2-ylmethyl)methanamine
CID 27656690
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-naphthalen-2-ylacetamide
CID 26065527
4-tert-butyl-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 26952024
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-(2-fluorophenyl)acetamide
CID 7719521
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-1-benzothiophene-2-carboxamide
CID 27989966
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-fluorophenyl)acetamide
CID 8502005
5-chloro-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide
CID 39802239
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylbutanamide
CID 46511351
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-[4-(2-methylpropyl)phenyl]acetamide
CID 55395583
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2,6-difluorobenzamide
CID 26892844
N-(2,5-diethoxyphenyl)-6-morpholin-4-ylsulfonylquinolin-2-amine
CID 53038205
2-(2-ethoxy-5-morpholin-4-ylsulfonylanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 55502727

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-morpholin-4-ylsulfonyl-N-(naphthalen-2-ylmethyl)aniline?
The IUPAC name of 2-ethoxy-5-morpholin-4-ylsulfonyl-N-(naphthalen-2-ylmethyl)aniline (CID 112811153) is 2-ethoxy-5-morpholin-4-ylsulfonyl-N-(naphthalen-2-ylmethyl)aniline.
What is the SMILES notation for 2-ethoxy-5-morpholin-4-ylsulfonyl-N-(naphthalen-2-ylmethyl)aniline?
The canonical SMILES for 2-ethoxy-5-morpholin-4-ylsulfonyl-N-(naphthalen-2-ylmethyl)aniline is CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NCc1ccc2ccccc2c1.
What is the InChIKey of 2-ethoxy-5-morpholin-4-ylsulfonyl-N-(naphthalen-2-ylmethyl)aniline?
The InChIKey is LLKQOBISGSBKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4S/c1-2-29-23-10-9-21(30(26,27)25-11-13-28-14-12-25)16-22(23)24-17-18-7-8-19-5-3-4-6-20(19)15-18/h3-10,15-16,24H,2,11-14,17H2,1H3.
What are the key properties of 2-ethoxy-5-morpholin-4-ylsulfonyl-N-(naphthalen-2-ylmethyl)aniline?
2-ethoxy-5-morpholin-4-ylsulfonyl-N-(naphthalen-2-ylmethyl)aniline has a molecular weight of 426.54 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-morpholin-4-ylsulfonyl-N-(naphthalen-2-ylmethyl)aniline is sourced from PubChem (CID 112811153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).