N-[2-[2-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide

C20H23N3O5S — CID 8939401

IUPACN-[2-[2-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)NCC(=O)NNC(=O)C[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C20H23N3O5S/c24-18(11-16-6-3-5-15-4-1-2-7-17(15)16)21-12-20(26)23-22-19(25)10-14-8-9-29(27,28)13-14/h1-7,14H,8-13H2,(H,21,24)(H,22,25)(H,23,26)/t14-/m1/s1
InChIKeyBQNSAHRXPSWDMT-CQSZACIVSA-N
MW417.49 g/mol
LogP0.47
Rot. Bonds6

About N-[2-[2-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide

N-[2-[2-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide (PubChem CID 8939401) has the molecular formula C20H23N3O5S and a molecular weight of 417.49 g/mol. Its IUPAC name is N-[2-[2-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[2-[2-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide
PubChem CID8939401
Molecular FormulaC20H23N3O5S
Molecular Weight417.49 g/mol
Exact Mass417.14
IUPAC NameN-[2-[2-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)NCC(=O)NNC(=O)C[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C20H23N3O5S/c24-18(11-16-6-3-5-15-4-1-2-7-17(15)16)21-12-20(26)23-22-19(25)10-14-8-9-29(27,28)13-14/h1-7,14H,8-13H2,(H,21,24)(H,22,25)(H,23,26)/t14-/m1/s1
InChIKeyBQNSAHRXPSWDMT-CQSZACIVSA-N
XLogP0.47
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 50.47
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-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[2-[2-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide (CID 8939401) is N-[2-[2-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[2-[2-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[2-[2-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide is O=C(Cc1cccc2ccccc12)NCC(=O)NNC(=O)C[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[2-[2-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The InChIKey is BQNSAHRXPSWDMT-CQSZACIVSA-N. The full InChI is InChI=1S/C20H23N3O5S/c24-18(11-16-6-3-5-15-4-1-2-7-17(15)16)21-12-20(26)23-22-19(25)10-14-8-9-29(27,28)13-14/h1-7,14H,8-13H2,(H,21,24)(H,22,25)(H,23,26)/t14-/m1/s1.
What are the key properties of N-[2-[2-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
N-[2-[2-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide has a molecular weight of 417.49 g/mol, XLogP of 0.47, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 8939401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).