N-[2-[2-[(3S)-1,1-dioxothiolane-3-carbonyl]hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide

C19H21N3O5S — CID 9083085

IUPACN-[2-[2-[(3S)-1,1-dioxothiolane-3-carbonyl]hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)NCC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C19H21N3O5S/c23-17(10-14-6-3-5-13-4-1-2-7-16(13)14)20-11-18(24)21-22-19(25)15-8-9-28(26,27)12-15/h1-7,15H,8-12H2,(H,20,23)(H,21,24)(H,22,25)/t15-/m1/s1
InChIKeyNVLSOQRMAQYPIL-OAHLLOKOSA-N
MW403.46 g/mol
LogP0.08
Rot. Bonds5

About N-[2-[2-[(3S)-1,1-dioxothiolane-3-carbonyl]hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide

N-[2-[2-[(3S)-1,1-dioxothiolane-3-carbonyl]hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide (PubChem CID 9083085) has the molecular formula C19H21N3O5S and a molecular weight of 403.46 g/mol. Its IUPAC name is N-[2-[2-[(3S)-1,1-dioxothiolane-3-carbonyl]hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[2-[2-[(3S)-1,1-dioxothiolane-3-carbonyl]hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide
PubChem CID9083085
Molecular FormulaC19H21N3O5S
Molecular Weight403.46 g/mol
Exact Mass403.12
IUPAC NameN-[2-[2-[(3S)-1,1-dioxothiolane-3-carbonyl]hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)NCC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C19H21N3O5S/c23-17(10-14-6-3-5-13-4-1-2-7-16(13)14)20-11-18(24)21-22-19(25)15-8-9-28(26,27)12-15/h1-7,15H,8-12H2,(H,20,23)(H,21,24)(H,22,25)/t15-/m1/s1
InChIKeyNVLSOQRMAQYPIL-OAHLLOKOSA-N
XLogP0.08
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(3S)-1,1-dioxothiolane-3-carbonyl]hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[2-[2-[(3S)-1,1-dioxothiolane-3-carbonyl]hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide (CID 9083085) is N-[2-[2-[(3S)-1,1-dioxothiolane-3-carbonyl]hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[2-[2-[(3S)-1,1-dioxothiolane-3-carbonyl]hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[2-[2-[(3S)-1,1-dioxothiolane-3-carbonyl]hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide is O=C(Cc1cccc2ccccc12)NCC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[2-[2-[(3S)-1,1-dioxothiolane-3-carbonyl]hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The InChIKey is NVLSOQRMAQYPIL-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H21N3O5S/c23-17(10-14-6-3-5-13-4-1-2-7-16(13)14)20-11-18(24)21-22-19(25)15-8-9-28(26,27)12-15/h1-7,15H,8-12H2,(H,20,23)(H,21,24)(H,22,25)/t15-/m1/s1.
What are the key properties of N-[2-[2-[(3S)-1,1-dioxothiolane-3-carbonyl]hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
N-[2-[2-[(3S)-1,1-dioxothiolane-3-carbonyl]hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide has a molecular weight of 403.46 g/mol, XLogP of 0.08, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(3S)-1,1-dioxothiolane-3-carbonyl]hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 9083085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).