N-[(3S)-1,1-dioxothiolan-3-yl]-N',N'-dimethyl-3,3-diphenylpropanehydrazide

C21H26N2O3S — CID 7614600

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-N',N'-dimethyl-3,3-diphenylpropanehydrazide
SMILESCN(C)N(C(=O)CC(c1ccccc1)c1ccccc1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C21H26N2O3S/c1-22(2)23(19-13-14-27(25,26)16-19)21(24)15-20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/t19-/m0/s1
InChIKeyIMRUTJIMXLNRSS-IBGZPJMESA-N
MW386.52 g/mol
LogP2.70
Rot. Bonds6

About N-[(3S)-1,1-dioxothiolan-3-yl]-N',N'-dimethyl-3,3-diphenylpropanehydrazide

N-[(3S)-1,1-dioxothiolan-3-yl]-N',N'-dimethyl-3,3-diphenylpropanehydrazide (PubChem CID 7614600) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-N',N'-dimethyl-3,3-diphenylpropanehydrazide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-N',N'-dimethyl-3,3-diphenylpropanehydrazide
PubChem CID7614600
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-N',N'-dimethyl-3,3-diphenylpropanehydrazide
SMILESCN(C)N(C(=O)CC(c1ccccc1)c1ccccc1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C21H26N2O3S/c1-22(2)23(19-13-14-27(25,26)16-19)21(24)15-20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/t19-/m0/s1
InChIKeyIMRUTJIMXLNRSS-IBGZPJMESA-N
XLogP2.70
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-N-ethyl-2,2-diphenylacetamide
CID 2999123
N-(1,1-dioxothiolan-3-yl)-3-phenylpropanamide
CID 3354646
N-(1,1-dioxothiolan-3-yl)-2,2-diphenylacetamide
CID 6458135
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-naphthalen-2-ylacetamide
CID 45855022
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(2-methylphenyl)acetamide
CID 45855023
N-(1,1-dioxothiolan-3-yl)-N-methyl-1-(3-methylphenyl)cyclobutane-1-carboxamide
CID 45868666
N-(1,1-dioxothiolan-3-yl)-4-(4-methylphenyl)butanamide
CID 4749623
1-[(1,1-Dioxidotetrahydro-3-thienyl)acetyl]-3,3-diphenylpiperidine
CID 72839710
(2S,3S)-2-[(S)-cyclohexylsulfinyl]-N,N-dimethyl-3-phenylpent-4-enamide
CID 11121170
2-benzyl-N,N-diethyl-3-(4-methylphenyl)sulfonylbutanamide
CID 15647887
N-benzhydryl-2-(1,1-dioxothiolan-3-yl)acetamide
CID 17408993
N-(1,1-dioxidotetrahydrothiophen-3-yl)-N~2~-(diphenylacetyl)-L-valinamide
CID 17596842

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-N',N'-dimethyl-3,3-diphenylpropanehydrazide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-N',N'-dimethyl-3,3-diphenylpropanehydrazide (CID 7614600) is N-[(3S)-1,1-dioxothiolan-3-yl]-N',N'-dimethyl-3,3-diphenylpropanehydrazide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-N',N'-dimethyl-3,3-diphenylpropanehydrazide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-N',N'-dimethyl-3,3-diphenylpropanehydrazide is CN(C)N(C(=O)CC(c1ccccc1)c1ccccc1)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-N',N'-dimethyl-3,3-diphenylpropanehydrazide?
The InChIKey is IMRUTJIMXLNRSS-IBGZPJMESA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-22(2)23(19-13-14-27(25,26)16-19)21(24)15-20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/t19-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-N',N'-dimethyl-3,3-diphenylpropanehydrazide?
N-[(3S)-1,1-dioxothiolan-3-yl]-N',N'-dimethyl-3,3-diphenylpropanehydrazide has a molecular weight of 386.52 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxothiolan-3-yl]-N',N'-dimethyl-3,3-diphenylpropanehydrazide is sourced from PubChem (CID 7614600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).