N-benzhydryl-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide

C19H19NO3S — CID 17495507

IUPACN-benzhydryl-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide
SMILESO=C(CC1C=CS(=O)(=O)C1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H19NO3S/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/h1-12,15,19H,13-14H2,(H,20,21)
InChIKeyODDDXNZNXXVPEL-UHFFFAOYSA-N
MW341.43 g/mol
LogP2.84
Rot. Bonds5

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

N-benzhydryl-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide (PubChem CID 17495507) has the molecular formula C19H19NO3S and a molecular weight of 341.43 g/mol. Its IUPAC name is N-benzhydryl-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide.

Molecular Properties

Compound NameN-benzhydryl-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide
PubChem CID17495507
Molecular FormulaC19H19NO3S
Molecular Weight341.43 g/mol
Exact Mass341.11
IUPAC NameN-benzhydryl-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide
SMILESO=C(CC1C=CS(=O)(=O)C1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H19NO3S/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/h1-12,15,19H,13-14H2,(H,20,21)
InChIKeyODDDXNZNXXVPEL-UHFFFAOYSA-N
XLogP2.84
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 3-[[2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetyl]amino]-3-phenylpropanoate
CID 55439937
[1-oxo-1-(1-phenylethylamino)propan-2-yl] 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetate
CID 46544845
N-benzhydryl-2-(1,1-dioxothiolan-3-yl)acetamide
CID 17408993
2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-[(1-phenyltetrazol-5-yl)methyl]acetamide
CID 99974098
N-benzhydryl-2-(cyclopropylamino)acetamide
CID 60647106
2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-methoxyphenyl)acetamide
CID 1382298
2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetyl chloride
CID 13356225
[2-(2,6-dichloroanilino)-2-oxoethyl] 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetate
CID 46640871
N-benzhydryl-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide
CID 7406184
N-benzhydryl-2-(2,6-dimethylpiperidin-1-yl)acetamide
CID 117068368
N-benzhydryl-2-morpholin-2-ylacetamide;hydrochloride
CID 119675556
2-cyclopentyl-N-[(4-methoxyphenyl)-phenylmethyl]acetamide
CID 18166406

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide?
The IUPAC name of N-benzhydryl-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide (CID 17495507) is N-benzhydryl-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide.
What is the SMILES notation for N-benzhydryl-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide?
The canonical SMILES for N-benzhydryl-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide is O=C(CC1C=CS(=O)(=O)C1)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide?
The InChIKey is ODDDXNZNXXVPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3S/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/h1-12,15,19H,13-14H2,(H,20,21).
What are the key properties of N-benzhydryl-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide?
N-benzhydryl-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide has a molecular weight of 341.43 g/mol, XLogP of 2.84, 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-dioxo-2,3-dihydrothiophen-3-yl)acetamide is sourced from PubChem (CID 17495507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).