4-(dimethylsulfamoyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methoxyphenyl)benzamide

C20H22N2O6S2 — CID 18554265

IUPAC4-(dimethylsulfamoyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(N(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C2C=CS(=O)(=O)C2)cc1
InChIInChI=1S/C20H22N2O6S2/c1-21(2)30(26,27)19-10-4-15(5-11-19)20(23)22(17-12-13-29(24,25)14-17)16-6-8-18(28-3)9-7-16/h4-13,17H,14H2,1-3H3
InChIKeyAQSHHCLZNYFGGC-UHFFFAOYSA-N
MW450.54 g/mol
LogP1.90
Rot. Bonds6

About 4-(dimethylsulfamoyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methoxyphenyl)benzamide

4-(dimethylsulfamoyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methoxyphenyl)benzamide (PubChem CID 18554265) has the molecular formula C20H22N2O6S2 and a molecular weight of 450.54 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methoxyphenyl)benzamide
PubChem CID18554265
Molecular FormulaC20H22N2O6S2
Molecular Weight450.54 g/mol
Exact Mass450.09
IUPAC Name4-(dimethylsulfamoyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(N(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C2C=CS(=O)(=O)C2)cc1
InChIInChI=1S/C20H22N2O6S2/c1-21(2)30(26,27)19-10-4-15(5-11-19)20(23)22(17-12-13-29(24,25)14-17)16-6-8-18(28-3)9-7-16/h4-13,17H,14H2,1-3H3
InChIKeyAQSHHCLZNYFGGC-UHFFFAOYSA-N
XLogP1.90
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-methoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 41061217
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-fluorophenyl)-4-methoxybenzamide
CID 40505748
N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-4-fluoro-N-(4-methoxyphenyl)benzamide
CID 1218193
N-(3,4-dimethylphenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-methoxybenzamide
CID 18888026
3-bromo-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-methoxyphenyl)benzamide
CID 41235923
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-fluoro-N-(4-methoxyphenyl)benzamide
CID 40505789
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-methoxyphenyl)-2,2-dimethylpropanamide
CID 7481424
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)-3,5-dimethoxybenzamide
CID 43954781
N-(3-chlorophenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-4-methoxybenzamide
CID 40505453
2-chloro-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-methoxyphenyl)benzamide
CID 7481433
N-(2,4-dimethoxyphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-4-methoxybenzamide
CID 40506019
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N,2-bis(4-methoxyphenyl)acetamide
CID 40642870

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methoxyphenyl)benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methoxyphenyl)benzamide (CID 18554265) is 4-(dimethylsulfamoyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methoxyphenyl)benzamide is COc1ccc(N(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C2C=CS(=O)(=O)C2)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methoxyphenyl)benzamide?
The InChIKey is AQSHHCLZNYFGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O6S2/c1-21(2)30(26,27)19-10-4-15(5-11-19)20(23)22(17-12-13-29(24,25)14-17)16-6-8-18(28-3)9-7-16/h4-13,17H,14H2,1-3H3.
What are the key properties of 4-(dimethylsulfamoyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methoxyphenyl)benzamide?
4-(dimethylsulfamoyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methoxyphenyl)benzamide has a molecular weight of 450.54 g/mol, XLogP of 1.90, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 18554265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).