3-(diethylsulfamoyl)-4-fluoro-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide

C24H27FN2O4S2 — CID 55332989

IUPAC3-(diethylsulfamoyl)-4-fluoro-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)N(Cc2cccs2)Cc2ccccc2OC)ccc1F
InChIInChI=1S/C24H27FN2O4S2/c1-4-27(5-2)33(29,30)23-15-18(12-13-21(23)25)24(28)26(17-20-10-8-14-32-20)16-19-9-6-7-11-22(19)31-3/h6-15H,4-5,16-17H2,1-3H3
InChIKeyZCQJHGUASLXVTQ-UHFFFAOYSA-N
MW490.62 g/mol
LogP4.77
Rot. Bonds10

About 3-(diethylsulfamoyl)-4-fluoro-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide

3-(diethylsulfamoyl)-4-fluoro-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 55332989) has the molecular formula C24H27FN2O4S2 and a molecular weight of 490.62 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-4-fluoro-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-4-fluoro-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide
PubChem CID55332989
Molecular FormulaC24H27FN2O4S2
Molecular Weight490.62 g/mol
Exact Mass490.14
IUPAC Name3-(diethylsulfamoyl)-4-fluoro-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)N(Cc2cccs2)Cc2ccccc2OC)ccc1F
InChIInChI=1S/C24H27FN2O4S2/c1-4-27(5-2)33(29,30)23-15-18(12-13-21(23)25)24(28)26(17-20-10-8-14-32-20)16-19-9-6-7-11-22(19)31-3/h6-15H,4-5,16-17H2,1-3H3
InChIKeyZCQJHGUASLXVTQ-UHFFFAOYSA-N
XLogP4.77
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.62
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxyphenyl)methyl]-3-methylsulfonyl-N-(thiophen-2-ylmethyl)benzamide
CID 55333106
2-fluoro-4,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 35305554
3,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide
CID 8700024
4-(methoxymethyl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide
CID 8891705
N-[(2-methoxyphenyl)methyl]-6-methyl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 31119902
2-hydroxy-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide
CID 112795014
4-(2,5-dioxopyrrolidin-1-yl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide
CID 31511205
3-amino-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)propanamide
CID 119268847
N-[(2-methoxyphenyl)methyl]-3-methylsulfonyl-N-(thiophen-2-ylmethyl)propanamide
CID 134034593
2-ethyl-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)butanamide
CID 112795027
2-amino-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 119268849
4-fluoro-3-[methyl(thiophen-2-ylmethyl)sulfamoyl]benzoic acid
CID 43238358

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-4-fluoro-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 3-(diethylsulfamoyl)-4-fluoro-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide (CID 55332989) is 3-(diethylsulfamoyl)-4-fluoro-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-4-fluoro-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-4-fluoro-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)N(Cc2cccs2)Cc2ccccc2OC)ccc1F.
What is the InChIKey of 3-(diethylsulfamoyl)-4-fluoro-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is ZCQJHGUASLXVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O4S2/c1-4-27(5-2)33(29,30)23-15-18(12-13-21(23)25)24(28)26(17-20-10-8-14-32-20)16-19-9-6-7-11-22(19)31-3/h6-15H,4-5,16-17H2,1-3H3.
What are the key properties of 3-(diethylsulfamoyl)-4-fluoro-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide?
3-(diethylsulfamoyl)-4-fluoro-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 490.62 g/mol, XLogP of 4.77, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-4-fluoro-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 55332989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).