N-(1,1-dioxothiolan-3-yl)-3-methoxy-N-(2-phenylethyl)benzamide

C20H23NO4S — CID 18593889

IUPACN-(1,1-dioxothiolan-3-yl)-3-methoxy-N-(2-phenylethyl)benzamide
SMILESCOc1cccc(C(=O)N(CCc2ccccc2)C2CCS(=O)(=O)C2)c1
InChIInChI=1S/C20H23NO4S/c1-25-19-9-5-8-17(14-19)20(22)21(18-11-13-26(23,24)15-18)12-10-16-6-3-2-4-7-16/h2-9,14,18H,10-13,15H2,1H3
InChIKeyDPCKGEOLPCRKKI-UHFFFAOYSA-N
MW373.47 g/mol
LogP2.57
Rot. Bonds6

About N-(1,1-dioxothiolan-3-yl)-3-methoxy-N-(2-phenylethyl)benzamide

N-(1,1-dioxothiolan-3-yl)-3-methoxy-N-(2-phenylethyl)benzamide (PubChem CID 18593889) has the molecular formula C20H23NO4S and a molecular weight of 373.47 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-3-methoxy-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-3-methoxy-N-(2-phenylethyl)benzamide
PubChem CID18593889
Molecular FormulaC20H23NO4S
Molecular Weight373.47 g/mol
Exact Mass373.13
IUPAC NameN-(1,1-dioxothiolan-3-yl)-3-methoxy-N-(2-phenylethyl)benzamide
SMILESCOc1cccc(C(=O)N(CCc2ccccc2)C2CCS(=O)(=O)C2)c1
InChIInChI=1S/C20H23NO4S/c1-25-19-9-5-8-17(14-19)20(22)21(18-11-13-26(23,24)15-18)12-10-16-6-3-2-4-7-16/h2-9,14,18H,10-13,15H2,1H3
InChIKeyDPCKGEOLPCRKKI-UHFFFAOYSA-N
XLogP2.57
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1,1-dioxothiolan-3-yl]-3-methoxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 40643442
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-methoxybenzamide
CID 18155646
N-[(3,4-dimethoxyphenyl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-3-methoxybenzamide
CID 7123350
N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(2-fluorophenyl)methyl]-3-methoxybenzamide
CID 40643575
N-[(3S)-1,1-dioxothiolan-3-yl]-3-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 27315976
[2-[benzyl-[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 3-methoxybenzoate
CID 7703051
N-[(3R)-1,1-dioxothiolan-3-yl]-3-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 7123354
N-[(3S)-1,1-dioxothiolan-3-yl]-4-methoxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 40643441
N-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]-3-propoxybenzamide
CID 7123222
N-benzyl-3-(difluoromethoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 8781850
N-benzyl-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 7198186
N-butyl-N-(1,1-dioxothiolan-3-yl)-2-(3-methoxyphenyl)acetamide
CID 60591859

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-methoxy-N-(2-phenylethyl)benzamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-methoxy-N-(2-phenylethyl)benzamide (CID 18593889) is N-(1,1-dioxothiolan-3-yl)-3-methoxy-N-(2-phenylethyl)benzamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-3-methoxy-N-(2-phenylethyl)benzamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-3-methoxy-N-(2-phenylethyl)benzamide is COc1cccc(C(=O)N(CCc2ccccc2)C2CCS(=O)(=O)C2)c1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-3-methoxy-N-(2-phenylethyl)benzamide?
The InChIKey is DPCKGEOLPCRKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4S/c1-25-19-9-5-8-17(14-19)20(22)21(18-11-13-26(23,24)15-18)12-10-16-6-3-2-4-7-16/h2-9,14,18H,10-13,15H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-3-methoxy-N-(2-phenylethyl)benzamide?
N-(1,1-dioxothiolan-3-yl)-3-methoxy-N-(2-phenylethyl)benzamide has a molecular weight of 373.47 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-3-methoxy-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 18593889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).