N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-3-naphthalen-2-ylprop-2-ynamide

C19H19NO4S — CID 45247014

IUPACN-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-3-naphthalen-2-ylprop-2-ynamide
SMILESO=C(C#Cc1ccc2ccccc2c1)N(CCO)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H19NO4S/c21-11-10-20(18-9-12-25(23,24)14-18)19(22)8-6-15-5-7-16-3-1-2-4-17(16)13-15/h1-5,7,13,18,21H,9-12,14H2
InChIKeyNDPLEHLTZXAQMH-UHFFFAOYSA-N
MW357.43 g/mol
LogP1.20
Rot. Bonds3

About N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-3-naphthalen-2-ylprop-2-ynamide

N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-3-naphthalen-2-ylprop-2-ynamide (PubChem CID 45247014) has the molecular formula C19H19NO4S and a molecular weight of 357.43 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-3-naphthalen-2-ylprop-2-ynamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-3-naphthalen-2-ylprop-2-ynamide
PubChem CID45247014
Molecular FormulaC19H19NO4S
Molecular Weight357.43 g/mol
Exact Mass357.10
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-3-naphthalen-2-ylprop-2-ynamide
SMILESO=C(C#Cc1ccc2ccccc2c1)N(CCO)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H19NO4S/c21-11-10-20(18-9-12-25(23,24)14-18)19(22)8-6-15-5-7-16-3-1-2-4-17(16)13-15/h1-5,7,13,18,21H,9-12,14H2
InChIKeyNDPLEHLTZXAQMH-UHFFFAOYSA-N
XLogP1.20
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylnaphthalene-2-carboxamide
CID 9245593
3-chloro-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-4-iodobenzamide
CID 103221703
3-bromo-4-chloro-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)benzamide
CID 107999423
1-(1,1-dioxothiolan-3-yl)-3-(3-fluorophenyl)-1-(2-hydroxyethyl)urea
CID 75391286
1-[(3S)-1,1-dioxothiolan-3-yl]-3-(3-fluorophenyl)-1-(2-hydroxyethyl)urea
CID 97246115
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methyl(naphthalen-2-yl)amino]acetamide
CID 51110428
potassium N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)carbamodithioate
CID 18876358
N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)propanamide
CID 60743082
3-[(3,5-dimethoxyphenyl)methyl]-1-[(3S)-1,1-dioxothiolan-3-yl]-1-(2-hydroxyethyl)urea
CID 126439055
N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide
CID 134700291
2-chloro-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 60742706
1-[(3R)-1,1-dioxothiolan-3-yl]-1-(2-hydroxyethyl)-3-(quinolin-4-ylmethyl)urea
CID 126449705

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-3-naphthalen-2-ylprop-2-ynamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-3-naphthalen-2-ylprop-2-ynamide (CID 45247014) is N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-3-naphthalen-2-ylprop-2-ynamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-3-naphthalen-2-ylprop-2-ynamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-3-naphthalen-2-ylprop-2-ynamide is O=C(C#Cc1ccc2ccccc2c1)N(CCO)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-3-naphthalen-2-ylprop-2-ynamide?
The InChIKey is NDPLEHLTZXAQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4S/c21-11-10-20(18-9-12-25(23,24)14-18)19(22)8-6-15-5-7-16-3-1-2-4-17(16)13-15/h1-5,7,13,18,21H,9-12,14H2.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-3-naphthalen-2-ylprop-2-ynamide?
N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-3-naphthalen-2-ylprop-2-ynamide has a molecular weight of 357.43 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-3-naphthalen-2-ylprop-2-ynamide is sourced from PubChem (CID 45247014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).