N-(1-amino-2-cyclopropylpropan-2-yl)-4-ethoxynaphthalene-1-sulfonamide

C18H24N2O3S — CID 154762748

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-4-ethoxynaphthalene-1-sulfonamide
SMILESCCOc1ccc(S(=O)(=O)NC(C)(CN)C2CC2)c2ccccc12
InChIInChI=1S/C18H24N2O3S/c1-3-23-16-10-11-17(15-7-5-4-6-14(15)16)24(21,22)20-18(2,12-19)13-8-9-13/h4-7,10-11,13,20H,3,8-9,12,19H2,1-2H3
InChIKeyTVFFCKQSHLGYTI-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.64
Rot. Bonds7

About N-(1-amino-2-cyclopropylpropan-2-yl)-4-ethoxynaphthalene-1-sulfonamide

N-(1-amino-2-cyclopropylpropan-2-yl)-4-ethoxynaphthalene-1-sulfonamide (PubChem CID 154762748) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-4-ethoxynaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-4-ethoxynaphthalene-1-sulfonamide
PubChem CID154762748
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-4-ethoxynaphthalene-1-sulfonamide
SMILESCCOc1ccc(S(=O)(=O)NC(C)(CN)C2CC2)c2ccccc12
InChIInChI=1S/C18H24N2O3S/c1-3-23-16-10-11-17(15-7-5-4-6-14(15)16)24(21,22)20-18(2,12-19)13-8-9-13/h4-7,10-11,13,20H,3,8-9,12,19H2,1-2H3
InChIKeyTVFFCKQSHLGYTI-UHFFFAOYSA-N
XLogP2.64
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-4-ethoxynaphthalene-1-sulfonamide
CID 66485755
N-(1-amino-2-cyclopropylpropan-2-yl)naphthalene-1-sulfonamide;hydrochloride
CID 119981674
N-cyclobutyl-4-ethoxynaphthalene-1-sulfonamide
CID 172880543
4-ethoxy-N-ethylnaphthalene-1-sulfonamide
CID 2235792
N-(4-aminobutyl)-4-ethoxynaphthalene-1-sulfonamide
CID 120583247
N-(1-amino-2-cyclopropylpropan-2-yl)-2-nitrobenzenesulfonamide
CID 115308023
N-(1-amino-2-cyclopropylpropan-2-yl)naphthalene-2-sulfonamide;hydrochloride
CID 119981675
(2S,6S)-1-(4-ethoxynaphthalen-1-yl)sulfonyl-2,6-dimethylpiperidine
CID 748027
4-ethoxy-N-(piperidin-3-ylmethyl)naphthalene-1-sulfonamide;hydrochloride
CID 119968708
4-ethoxy-N-(2-methylphenyl)naphthalene-1-sulfonamide
CID 165435904
4-ethoxy-N-(4-methylpiperidin-3-yl)naphthalene-1-sulfonamide
CID 120722933
4-propoxy-N-(2,4,4-trimethylpentan-2-yl)naphthalene-1-sulfonamide
CID 146145742

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-4-ethoxynaphthalene-1-sulfonamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-4-ethoxynaphthalene-1-sulfonamide (CID 154762748) is N-(1-amino-2-cyclopropylpropan-2-yl)-4-ethoxynaphthalene-1-sulfonamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-4-ethoxynaphthalene-1-sulfonamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-4-ethoxynaphthalene-1-sulfonamide is CCOc1ccc(S(=O)(=O)NC(C)(CN)C2CC2)c2ccccc12.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-4-ethoxynaphthalene-1-sulfonamide?
The InChIKey is TVFFCKQSHLGYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-3-23-16-10-11-17(15-7-5-4-6-14(15)16)24(21,22)20-18(2,12-19)13-8-9-13/h4-7,10-11,13,20H,3,8-9,12,19H2,1-2H3.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-4-ethoxynaphthalene-1-sulfonamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-4-ethoxynaphthalene-1-sulfonamide has a molecular weight of 348.47 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-4-ethoxynaphthalene-1-sulfonamide is sourced from PubChem (CID 154762748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).