N-benzhydryl-2-(1,1-dioxothiolan-3-yl)acetamide

C19H21NO3S — CID 17408993

IUPACN-benzhydryl-2-(1,1-dioxothiolan-3-yl)acetamide
SMILESO=C(CC1CCS(=O)(=O)C1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO3S/c21-18(13-15-11-12-24(22,23)14-15)20-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,15,19H,11-14H2,(H,20,21)
InChIKeyXGRYJFUGUIYQTM-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.72
Rot. Bonds5

About N-benzhydryl-2-(1,1-dioxothiolan-3-yl)acetamide

N-benzhydryl-2-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 17408993) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-benzhydryl-2-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound NameN-benzhydryl-2-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID17408993
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC NameN-benzhydryl-2-(1,1-dioxothiolan-3-yl)acetamide
SMILESO=C(CC1CCS(=O)(=O)C1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO3S/c21-18(13-15-11-12-24(22,23)14-15)20-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,15,19H,11-14H2,(H,20,21)
InChIKeyXGRYJFUGUIYQTM-UHFFFAOYSA-N
XLogP2.72
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,1-dioxothiolan-3-yl)-N-(3-methyl-1-phenylbutyl)acetamide
CID 78813624
N'-[2-(1,1-dioxothiolan-3-yl)acetyl]-2,2-diphenylacetohydrazide
CID 55416475
2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(3S)-3-phenylbutyl]acetamide
CID 95281062
2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(3S)-3-phenylbutyl]acetamide
CID 95281064
N-[1-(3,4-dichlorophenyl)ethyl]-2-(1,1-dioxothiolan-3-yl)acetamide
CID 55394808
(3R)-N-benzhydryl-1,1-dioxothiolane-3-carboxamide
CID 26691772
2-(1,1-dioxothiolan-3-yl)-N-propan-2-ylacetamide
CID 171049196
3-[(1,1-dioxothiolan-3-yl)methylamino]-2-phenylpropanoic acid
CID 64567525
N-benzhydryl-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide
CID 17495507
2-[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]-3-hydroxypropanoic acid
CID 21179606
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 9369701
2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(Z)-1-phenylethylideneamino]acetamide
CID 8865960

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of N-benzhydryl-2-(1,1-dioxothiolan-3-yl)acetamide (CID 17408993) is N-benzhydryl-2-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for N-benzhydryl-2-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for N-benzhydryl-2-(1,1-dioxothiolan-3-yl)acetamide is O=C(CC1CCS(=O)(=O)C1)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-2-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is XGRYJFUGUIYQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3S/c21-18(13-15-11-12-24(22,23)14-15)20-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,15,19H,11-14H2,(H,20,21).
What are the key properties of N-benzhydryl-2-(1,1-dioxothiolan-3-yl)acetamide?
N-benzhydryl-2-(1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 343.45 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 17408993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).