N-(1,1-dioxothiolan-3-yl)-3-methoxy-N-[(4-methoxyphenyl)methyl]benzamide

C20H23NO5S — CID 3753170

IUPACN-(1,1-dioxothiolan-3-yl)-3-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CN(C(=O)c2cccc(OC)c2)C2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C20H23NO5S/c1-25-18-8-6-15(7-9-18)13-21(17-10-11-27(23,24)14-17)20(22)16-4-3-5-19(12-16)26-2/h3-9,12,17H,10-11,13-14H2,1-2H3
InChIKeyDWIIRHNOSIRTRJ-UHFFFAOYSA-N
MW389.47 g/mol
LogP2.53
Rot. Bonds6

About N-(1,1-dioxothiolan-3-yl)-3-methoxy-N-[(4-methoxyphenyl)methyl]benzamide

N-(1,1-dioxothiolan-3-yl)-3-methoxy-N-[(4-methoxyphenyl)methyl]benzamide (PubChem CID 3753170) has the molecular formula C20H23NO5S and a molecular weight of 389.47 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-3-methoxy-N-[(4-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-3-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
PubChem CID3753170
Molecular FormulaC20H23NO5S
Molecular Weight389.47 g/mol
Exact Mass389.13
IUPAC NameN-(1,1-dioxothiolan-3-yl)-3-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CN(C(=O)c2cccc(OC)c2)C2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C20H23NO5S/c1-25-18-8-6-15(7-9-18)13-21(17-10-11-27(23,24)14-17)20(22)16-4-3-5-19(12-16)26-2/h3-9,12,17H,10-11,13-14H2,1-2H3
InChIKeyDWIIRHNOSIRTRJ-UHFFFAOYSA-N
XLogP2.53
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 3846024
(2E)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(furan-2-yl)-N-(4-methoxybenzyl)prop-2-enamide
CID 6049421
3-methoxy-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide
CID 7601055
N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-ethylbenzo[d][1,3]dioxole-5-carboxamide
CID 18573563
N-butyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzo[d][1,3]dioxole-5-carboxamide
CID 18573564
3-Isobutoxy-N-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)benzamide
CID 24818176
(3-Methoxyphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 719650
2-(1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl)isoindoline-1,3-dione
CID 9931012
N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydro-3-thienyl)-4-methoxybenzamide
CID 662417
N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydro-3-thienyl)-3-methoxybenzamide
CID 662566
N-(1,1-dioxothiolan-3-yl)-2-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 662928
N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-ethoxy-N-(furan-2-ylmethyl)benzamide
CID 664684

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-methoxy-N-[(4-methoxyphenyl)methyl]benzamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-methoxy-N-[(4-methoxyphenyl)methyl]benzamide (CID 3753170) is N-(1,1-dioxothiolan-3-yl)-3-methoxy-N-[(4-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-3-methoxy-N-[(4-methoxyphenyl)methyl]benzamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-3-methoxy-N-[(4-methoxyphenyl)methyl]benzamide is COc1ccc(CN(C(=O)c2cccc(OC)c2)C2CCS(=O)(=O)C2)cc1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-3-methoxy-N-[(4-methoxyphenyl)methyl]benzamide?
The InChIKey is DWIIRHNOSIRTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5S/c1-25-18-8-6-15(7-9-18)13-21(17-10-11-27(23,24)14-17)20(22)16-4-3-5-19(12-16)26-2/h3-9,12,17H,10-11,13-14H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-3-methoxy-N-[(4-methoxyphenyl)methyl]benzamide?
N-(1,1-dioxothiolan-3-yl)-3-methoxy-N-[(4-methoxyphenyl)methyl]benzamide has a molecular weight of 389.47 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-3-methoxy-N-[(4-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 3753170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).