N-[3-[(4-ethoxynaphthalen-1-yl)sulfonylamino]phenyl]-2-hydroxyacetamide

C20H20N2O5S — CID 56573661

IUPACN-[3-[(4-ethoxynaphthalen-1-yl)sulfonylamino]phenyl]-2-hydroxyacetamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cccc(NC(=O)CO)c2)c2ccccc12
InChIInChI=1S/C20H20N2O5S/c1-2-27-18-10-11-19(17-9-4-3-8-16(17)18)28(25,26)22-15-7-5-6-14(12-15)21-20(24)13-23/h3-12,22-23H,2,13H2,1H3,(H,21,24)
InChIKeyIMUZCSGVGVMGIC-UHFFFAOYSA-N
MW400.46 g/mol
LogP2.97
Rot. Bonds7

About N-[3-[(4-ethoxynaphthalen-1-yl)sulfonylamino]phenyl]-2-hydroxyacetamide

N-[3-[(4-ethoxynaphthalen-1-yl)sulfonylamino]phenyl]-2-hydroxyacetamide (PubChem CID 56573661) has the molecular formula C20H20N2O5S and a molecular weight of 400.46 g/mol. Its IUPAC name is N-[3-[(4-ethoxynaphthalen-1-yl)sulfonylamino]phenyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[3-[(4-ethoxynaphthalen-1-yl)sulfonylamino]phenyl]-2-hydroxyacetamide
PubChem CID56573661
Molecular FormulaC20H20N2O5S
Molecular Weight400.46 g/mol
Exact Mass400.11
IUPAC NameN-[3-[(4-ethoxynaphthalen-1-yl)sulfonylamino]phenyl]-2-hydroxyacetamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cccc(NC(=O)CO)c2)c2ccccc12
InChIInChI=1S/C20H20N2O5S/c1-2-27-18-10-11-19(17-9-4-3-8-16(17)18)28(25,26)22-15-7-5-6-14(12-15)21-20(24)13-23/h3-12,22-23H,2,13H2,1H3,(H,21,24)
InChIKeyIMUZCSGVGVMGIC-UHFFFAOYSA-N
XLogP2.97
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-ethoxynaphthalen-1-yl)sulfonylamino]-2-fluorobenzoic acid
CID 155532593
2-[4-[(4-ethoxynaphthalen-1-yl)sulfonylamino]phenyl]acetate
CID 5046040
4-ethoxy-N-ethylnaphthalene-1-sulfonamide
CID 2235792
4-ethoxy-N-(2-methylphenyl)naphthalene-1-sulfonamide
CID 165435904
N-tert-butyl-4-ethoxynaphthalene-1-sulfonamide
CID 66485755
N-(2,5-difluorophenyl)-4-ethoxynaphthalene-1-sulfonamide
CID 60579353
1-[3-[(3,4-diethoxyphenyl)sulfonylamino]phenyl]-3-methylurea
CID 36512808
N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-3,4-dihydroxybutanamide
CID 169307679
N-(3-acetylphenyl)-5-bromo-2-ethoxybenzenesulfonamide
CID 2126237
sodium;4-ethoxynaphthalene-1-sulfonic acid;hydride
CID 173109617
2-fluoro-5-[(4-pentoxynaphthalen-1-yl)sulfonylamino]benzoic acid
CID 155532366
N-cyclobutyl-4-ethoxynaphthalene-1-sulfonamide
CID 172880543

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-ethoxynaphthalen-1-yl)sulfonylamino]phenyl]-2-hydroxyacetamide?
The IUPAC name of N-[3-[(4-ethoxynaphthalen-1-yl)sulfonylamino]phenyl]-2-hydroxyacetamide (CID 56573661) is N-[3-[(4-ethoxynaphthalen-1-yl)sulfonylamino]phenyl]-2-hydroxyacetamide.
What is the SMILES notation for N-[3-[(4-ethoxynaphthalen-1-yl)sulfonylamino]phenyl]-2-hydroxyacetamide?
The canonical SMILES for N-[3-[(4-ethoxynaphthalen-1-yl)sulfonylamino]phenyl]-2-hydroxyacetamide is CCOc1ccc(S(=O)(=O)Nc2cccc(NC(=O)CO)c2)c2ccccc12.
What is the InChIKey of N-[3-[(4-ethoxynaphthalen-1-yl)sulfonylamino]phenyl]-2-hydroxyacetamide?
The InChIKey is IMUZCSGVGVMGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5S/c1-2-27-18-10-11-19(17-9-4-3-8-16(17)18)28(25,26)22-15-7-5-6-14(12-15)21-20(24)13-23/h3-12,22-23H,2,13H2,1H3,(H,21,24).
What are the key properties of N-[3-[(4-ethoxynaphthalen-1-yl)sulfonylamino]phenyl]-2-hydroxyacetamide?
N-[3-[(4-ethoxynaphthalen-1-yl)sulfonylamino]phenyl]-2-hydroxyacetamide has a molecular weight of 400.46 g/mol, XLogP of 2.97, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-ethoxynaphthalen-1-yl)sulfonylamino]phenyl]-2-hydroxyacetamide is sourced from PubChem (CID 56573661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).