N-[2-[2-[(3R)-1,1-dioxothiolane-3-carbonyl]hydrazinyl]-2-oxoethyl]benzamide

C14H17N3O5S — CID 9082212

IUPACN-[2-[2-[(3R)-1,1-dioxothiolane-3-carbonyl]hydrazinyl]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)NNC(=O)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C14H17N3O5S/c18-12(8-15-13(19)10-4-2-1-3-5-10)16-17-14(20)11-6-7-23(21,22)9-11/h1-5,11H,6-9H2,(H,15,19)(H,16,18)(H,17,20)/t11-/m0/s1
InChIKeyJDRNQDJICMKYLN-NSHDSACASA-N
MW339.37 g/mol
LogP-1.00
Rot. Bonds4

About N-[2-[2-[(3R)-1,1-dioxothiolane-3-carbonyl]hydrazinyl]-2-oxoethyl]benzamide

N-[2-[2-[(3R)-1,1-dioxothiolane-3-carbonyl]hydrazinyl]-2-oxoethyl]benzamide (PubChem CID 9082212) has the molecular formula C14H17N3O5S and a molecular weight of 339.37 g/mol. Its IUPAC name is N-[2-[2-[(3R)-1,1-dioxothiolane-3-carbonyl]hydrazinyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[2-[(3R)-1,1-dioxothiolane-3-carbonyl]hydrazinyl]-2-oxoethyl]benzamide
PubChem CID9082212
Molecular FormulaC14H17N3O5S
Molecular Weight339.37 g/mol
Exact Mass339.09
IUPAC NameN-[2-[2-[(3R)-1,1-dioxothiolane-3-carbonyl]hydrazinyl]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)NNC(=O)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C14H17N3O5S/c18-12(8-15-13(19)10-4-2-1-3-5-10)16-17-14(20)11-6-7-23(21,22)9-11/h1-5,11H,6-9H2,(H,15,19)(H,16,18)(H,17,20)/t11-/m0/s1
InChIKeyJDRNQDJICMKYLN-NSHDSACASA-N
XLogP-1.00
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 5-1.00
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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Related Compounds

(3S)-N'-(2-benzylbenzoyl)-1,1-dioxothiolane-3-carbohydrazide
CID 41282814
N-(2,2-diphenylethyl)-1,1-dioxothiolane-3-carboxamide
CID 134012964
N-(benzhydrylideneamino)-1,1-dioxothiolane-3-carboxamide
CID 134044533
N-[2-[[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 71449009
1,1-dioxo-N-[[4-(phenoxymethyl)phenyl]methyl]thiolane-3-carboxamide
CID 55689181
3-[2-[[(3S)-1,1-dioxothiolane-3-carbonyl]amino]ethyl]benzoic acid
CID 124556787
N-[2-(4-fluoroanilino)-2-oxoethyl]-1,1-dioxothiolane-3-carboxamide
CID 49165322
N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 40634625
N-[2-(cyclopropylmethylamino)-2-oxoethyl]benzamide
CID 25469630
(3R)-N-benzhydryl-1,1-dioxothiolane-3-carboxamide
CID 26691772
N-[[4-(hydroxymethyl)phenyl]methyl]-1,1-dioxothiolane-3-carboxamide
CID 107231377
N-[4-[[[(3S)-1,1-dioxothiolane-3-carbonyl]amino]carbamoyl]phenyl]thiophene-2-carboxamide
CID 9142029

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(3R)-1,1-dioxothiolane-3-carbonyl]hydrazinyl]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[2-[(3R)-1,1-dioxothiolane-3-carbonyl]hydrazinyl]-2-oxoethyl]benzamide (CID 9082212) is N-[2-[2-[(3R)-1,1-dioxothiolane-3-carbonyl]hydrazinyl]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[2-[(3R)-1,1-dioxothiolane-3-carbonyl]hydrazinyl]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[2-[(3R)-1,1-dioxothiolane-3-carbonyl]hydrazinyl]-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccccc1)NNC(=O)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[2-[2-[(3R)-1,1-dioxothiolane-3-carbonyl]hydrazinyl]-2-oxoethyl]benzamide?
The InChIKey is JDRNQDJICMKYLN-NSHDSACASA-N. The full InChI is InChI=1S/C14H17N3O5S/c18-12(8-15-13(19)10-4-2-1-3-5-10)16-17-14(20)11-6-7-23(21,22)9-11/h1-5,11H,6-9H2,(H,15,19)(H,16,18)(H,17,20)/t11-/m0/s1.
What are the key properties of N-[2-[2-[(3R)-1,1-dioxothiolane-3-carbonyl]hydrazinyl]-2-oxoethyl]benzamide?
N-[2-[2-[(3R)-1,1-dioxothiolane-3-carbonyl]hydrazinyl]-2-oxoethyl]benzamide has a molecular weight of 339.37 g/mol, XLogP of -1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(3R)-1,1-dioxothiolane-3-carbonyl]hydrazinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 9082212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).