3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(thiophen-2-ylmethyl)benzamide

C21H21ClN2O5S2 — CID 4802963

IUPAC3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(thiophen-2-ylmethyl)benzamide
SMILESCOc1cc(OC)c(N(C)S(=O)(=O)c2cccc(C(=O)NCc3cccs3)c2)cc1Cl
InChIInChI=1S/C21H21ClN2O5S2/c1-24(18-11-17(22)19(28-2)12-20(18)29-3)31(26,27)16-8-4-6-14(10-16)21(25)23-13-15-7-5-9-30-15/h4-12H,13H2,1-3H3,(H,23,25)
InChIKeyAJHQEQLGRJJKPR-UHFFFAOYSA-N
MW481.00 g/mol
LogP4.17
Rot. Bonds8

About 3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(thiophen-2-ylmethyl)benzamide

3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 4802963) has the molecular formula C21H21ClN2O5S2 and a molecular weight of 481.00 g/mol. Its IUPAC name is 3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(thiophen-2-ylmethyl)benzamide
PubChem CID4802963
Molecular FormulaC21H21ClN2O5S2
Molecular Weight481.00 g/mol
Exact Mass480.06
IUPAC Name3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(thiophen-2-ylmethyl)benzamide
SMILESCOc1cc(OC)c(N(C)S(=O)(=O)c2cccc(C(=O)NCc3cccs3)c2)cc1Cl
InChIInChI=1S/C21H21ClN2O5S2/c1-24(18-11-17(22)19(28-2)12-20(18)29-3)31(26,27)16-8-4-6-14(10-16)21(25)23-13-15-7-5-9-30-15/h4-12H,13H2,1-3H3,(H,23,25)
InChIKeyAJHQEQLGRJJKPR-UHFFFAOYSA-N
XLogP4.17
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.00
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(thiophen-2-ylmethyl)benzamide (CID 4802963) is 3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(thiophen-2-ylmethyl)benzamide is COc1cc(OC)c(N(C)S(=O)(=O)c2cccc(C(=O)NCc3cccs3)c2)cc1Cl.
What is the InChIKey of 3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is AJHQEQLGRJJKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O5S2/c1-24(18-11-17(22)19(28-2)12-20(18)29-3)31(26,27)16-8-4-6-14(10-16)21(25)23-13-15-7-5-9-30-15/h4-12H,13H2,1-3H3,(H,23,25).
What are the key properties of 3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(thiophen-2-ylmethyl)benzamide?
3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 481.00 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 4802963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).