N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3,4-diethoxy-N-(2-ethylphenyl)benzamide

C23H27NO5S — CID 18554272

IUPACN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3,4-diethoxy-N-(2-ethylphenyl)benzamide
SMILESCCOc1ccc(C(=O)N(c2ccccc2CC)C2C=CS(=O)(=O)C2)cc1OCC
InChIInChI=1S/C23H27NO5S/c1-4-17-9-7-8-10-20(17)24(19-13-14-30(26,27)16-19)23(25)18-11-12-21(28-5-2)22(15-18)29-6-3/h7-15,19H,4-6,16H2,1-3H3
InChIKeyUXBANROAXMFOHU-UHFFFAOYSA-N
MW429.54 g/mol
LogP4.00
Rot. Bonds8

About N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3,4-diethoxy-N-(2-ethylphenyl)benzamide

N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3,4-diethoxy-N-(2-ethylphenyl)benzamide (PubChem CID 18554272) has the molecular formula C23H27NO5S and a molecular weight of 429.54 g/mol. Its IUPAC name is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3,4-diethoxy-N-(2-ethylphenyl)benzamide.

Molecular Properties

Compound NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3,4-diethoxy-N-(2-ethylphenyl)benzamide
PubChem CID18554272
Molecular FormulaC23H27NO5S
Molecular Weight429.54 g/mol
Exact Mass429.16
IUPAC NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3,4-diethoxy-N-(2-ethylphenyl)benzamide
SMILESCCOc1ccc(C(=O)N(c2ccccc2CC)C2C=CS(=O)(=O)C2)cc1OCC
InChIInChI=1S/C23H27NO5S/c1-4-17-9-7-8-10-20(17)24(19-13-14-30(26,27)16-19)23(25)18-11-12-21(28-5-2)22(15-18)29-6-3/h7-15,19H,4-6,16H2,1-3H3
InChIKeyUXBANROAXMFOHU-UHFFFAOYSA-N
XLogP4.00
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(2-ethylphenyl)-3-methylbenzamide
CID 40642877
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(2-ethylphenyl)-2,2,2-trifluoroacetamide
CID 21179794
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3,4,5-triethoxy-N-(4-fluorophenyl)benzamide
CID 43954783
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3,4,5-triethoxy-N-(4-fluorophenyl)benzamide
CID 41235915
4-bromo-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-ethoxyphenyl)benzamide
CID 41235892
N-(4-chlorophenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-ethoxybenzamide
CID 40505378
N-(3-chlorophenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-4-ethoxybenzamide
CID 40505455
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-ethoxyphenyl)-3,4,5-trimethoxybenzamide
CID 43954733
N-(2,4-dimethoxyphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-4-methoxybenzamide
CID 40506019
N-(3,4-dimethylphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]benzamide
CID 6556149
ethyl N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylcarbamate
CID 102566492
N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-ethylphenyl)acetamide
CID 1243624

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3,4-diethoxy-N-(2-ethylphenyl)benzamide?
The IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3,4-diethoxy-N-(2-ethylphenyl)benzamide (CID 18554272) is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3,4-diethoxy-N-(2-ethylphenyl)benzamide.
What is the SMILES notation for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3,4-diethoxy-N-(2-ethylphenyl)benzamide?
The canonical SMILES for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3,4-diethoxy-N-(2-ethylphenyl)benzamide is CCOc1ccc(C(=O)N(c2ccccc2CC)C2C=CS(=O)(=O)C2)cc1OCC.
What is the InChIKey of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3,4-diethoxy-N-(2-ethylphenyl)benzamide?
The InChIKey is UXBANROAXMFOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO5S/c1-4-17-9-7-8-10-20(17)24(19-13-14-30(26,27)16-19)23(25)18-11-12-21(28-5-2)22(15-18)29-6-3/h7-15,19H,4-6,16H2,1-3H3.
What are the key properties of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3,4-diethoxy-N-(2-ethylphenyl)benzamide?
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3,4-diethoxy-N-(2-ethylphenyl)benzamide has a molecular weight of 429.54 g/mol, XLogP of 4.00, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3,4-diethoxy-N-(2-ethylphenyl)benzamide is sourced from PubChem (CID 18554272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).