N-(1-cyano-2,2-dimethylpropyl)-4-ethoxynaphthalene-1-sulfonamide

C18H22N2O3S — CID 71852690

IUPACN-(1-cyano-2,2-dimethylpropyl)-4-ethoxynaphthalene-1-sulfonamide
SMILESCCOc1ccc(S(=O)(=O)NC(C#N)C(C)(C)C)c2ccccc12
InChIInChI=1S/C18H22N2O3S/c1-5-23-15-10-11-16(14-9-7-6-8-13(14)15)24(21,22)20-17(12-19)18(2,3)4/h6-11,17,20H,5H2,1-4H3
InChIKeyKQRPFXFVSGHQSZ-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.46
Rot. Bonds5

About N-(1-cyano-2,2-dimethylpropyl)-4-ethoxynaphthalene-1-sulfonamide

N-(1-cyano-2,2-dimethylpropyl)-4-ethoxynaphthalene-1-sulfonamide (PubChem CID 71852690) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-(1-cyano-2,2-dimethylpropyl)-4-ethoxynaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(1-cyano-2,2-dimethylpropyl)-4-ethoxynaphthalene-1-sulfonamide
PubChem CID71852690
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-(1-cyano-2,2-dimethylpropyl)-4-ethoxynaphthalene-1-sulfonamide
SMILESCCOc1ccc(S(=O)(=O)NC(C#N)C(C)(C)C)c2ccccc12
InChIInChI=1S/C18H22N2O3S/c1-5-23-15-10-11-16(14-9-7-6-8-13(14)15)24(21,22)20-17(12-19)18(2,3)4/h6-11,17,20H,5H2,1-4H3
InChIKeyKQRPFXFVSGHQSZ-UHFFFAOYSA-N
XLogP3.46
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-4-ethoxynaphthalene-1-sulfonamide
CID 66485755
4-ethoxy-N-ethylnaphthalene-1-sulfonamide
CID 2235792
ethyl (3S)-3-[(4-ethoxynaphthalen-1-yl)sulfonylamino]-3-(4-methylphenyl)propanoate
CID 40844788
N-cyclobutyl-4-ethoxynaphthalene-1-sulfonamide
CID 172880543
4-ethoxy-N-(2-methylphenyl)naphthalene-1-sulfonamide
CID 165435904
N-(4-aminobutyl)-4-ethoxynaphthalene-1-sulfonamide
CID 120583247
sodium;4-ethoxynaphthalene-1-sulfonic acid;hydride
CID 173109617
2-[4-[(4-ethoxynaphthalen-1-yl)sulfonylamino]phenyl]acetate
CID 5046040
N-(1-amino-2-cyclopropylpropan-2-yl)-4-ethoxynaphthalene-1-sulfonamide
CID 154762748
N-(cyclohexen-1-ylmethyl)-4-ethoxynaphthalene-1-sulfonamide
CID 25248834
N-[3-[(4-ethoxynaphthalen-1-yl)sulfonylamino]phenyl]-2-hydroxyacetamide
CID 56573661
N-(2,5-difluorophenyl)-4-ethoxynaphthalene-1-sulfonamide
CID 60579353

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-2,2-dimethylpropyl)-4-ethoxynaphthalene-1-sulfonamide?
The IUPAC name of N-(1-cyano-2,2-dimethylpropyl)-4-ethoxynaphthalene-1-sulfonamide (CID 71852690) is N-(1-cyano-2,2-dimethylpropyl)-4-ethoxynaphthalene-1-sulfonamide.
What is the SMILES notation for N-(1-cyano-2,2-dimethylpropyl)-4-ethoxynaphthalene-1-sulfonamide?
The canonical SMILES for N-(1-cyano-2,2-dimethylpropyl)-4-ethoxynaphthalene-1-sulfonamide is CCOc1ccc(S(=O)(=O)NC(C#N)C(C)(C)C)c2ccccc12.
What is the InChIKey of N-(1-cyano-2,2-dimethylpropyl)-4-ethoxynaphthalene-1-sulfonamide?
The InChIKey is KQRPFXFVSGHQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-5-23-15-10-11-16(14-9-7-6-8-13(14)15)24(21,22)20-17(12-19)18(2,3)4/h6-11,17,20H,5H2,1-4H3.
What are the key properties of N-(1-cyano-2,2-dimethylpropyl)-4-ethoxynaphthalene-1-sulfonamide?
N-(1-cyano-2,2-dimethylpropyl)-4-ethoxynaphthalene-1-sulfonamide has a molecular weight of 346.45 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-2,2-dimethylpropyl)-4-ethoxynaphthalene-1-sulfonamide is sourced from PubChem (CID 71852690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).