(3R)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-1,1-dioxothiolane-3-carboxamide

C17H18N2O4S — CID 95271532

IUPAC(3R)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-1,1-dioxothiolane-3-carboxamide
SMILESO=C(CNC(=O)[C@H]1CCS(=O)(=O)C1)Nc1cccc2ccccc12
InChIInChI=1S/C17H18N2O4S/c20-16(10-18-17(21)13-8-9-24(22,23)11-13)19-15-7-3-5-12-4-1-2-6-14(12)15/h1-7,13H,8-11H2,(H,18,21)(H,19,20)/t13-/m0/s1
InChIKeyPKAJTTWVFGGPLX-ZDUSSCGKSA-N
MW346.41 g/mol
LogP1.33
Rot. Bonds4

About (3R)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-1,1-dioxothiolane-3-carboxamide

(3R)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-1,1-dioxothiolane-3-carboxamide (PubChem CID 95271532) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is (3R)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-1,1-dioxothiolane-3-carboxamide
PubChem CID95271532
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name(3R)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-1,1-dioxothiolane-3-carboxamide
SMILESO=C(CNC(=O)[C@H]1CCS(=O)(=O)C1)Nc1cccc2ccccc12
InChIInChI=1S/C17H18N2O4S/c20-16(10-18-17(21)13-8-9-24(22,23)11-13)19-15-7-3-5-12-4-1-2-6-14(12)15/h1-7,13H,8-11H2,(H,18,21)(H,19,20)/t13-/m0/s1
InChIKeyPKAJTTWVFGGPLX-ZDUSSCGKSA-N
XLogP1.33
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of (3R)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-1,1-dioxothiolane-3-carboxamide (CID 95271532) is (3R)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-1,1-dioxothiolane-3-carboxamide is O=C(CNC(=O)[C@H]1CCS(=O)(=O)C1)Nc1cccc2ccccc12.
What is the InChIKey of (3R)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-1,1-dioxothiolane-3-carboxamide?
The InChIKey is PKAJTTWVFGGPLX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18N2O4S/c20-16(10-18-17(21)13-8-9-24(22,23)11-13)19-15-7-3-5-12-4-1-2-6-14(12)15/h1-7,13H,8-11H2,(H,18,21)(H,19,20)/t13-/m0/s1.
What are the key properties of (3R)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-1,1-dioxothiolane-3-carboxamide?
(3R)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-1,1-dioxothiolane-3-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 95271532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).