3-chloro-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-5-methoxy-1-benzothiophene-2-carboxamide

C21H23ClN2O5S2 — CID 19225755

IUPAC3-chloro-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-5-methoxy-1-benzothiophene-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2sc3ccc(OC)cc3c2Cl)c1
InChIInChI=1S/C21H23ClN2O5S2/c1-5-24(6-2)31(26,27)14-8-9-17(29-4)16(12-14)23-21(25)20-19(22)15-11-13(28-3)7-10-18(15)30-20/h7-12H,5-6H2,1-4H3,(H,23,25)
InChIKeySZMUGEYMKSYGPJ-UHFFFAOYSA-N
MW483.01 g/mol
LogP4.85
Rot. Bonds8

About 3-chloro-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-5-methoxy-1-benzothiophene-2-carboxamide

3-chloro-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-5-methoxy-1-benzothiophene-2-carboxamide (PubChem CID 19225755) has the molecular formula C21H23ClN2O5S2 and a molecular weight of 483.01 g/mol. Its IUPAC name is 3-chloro-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-5-methoxy-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-5-methoxy-1-benzothiophene-2-carboxamide
PubChem CID19225755
Molecular FormulaC21H23ClN2O5S2
Molecular Weight483.01 g/mol
Exact Mass482.07
IUPAC Name3-chloro-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-5-methoxy-1-benzothiophene-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2sc3ccc(OC)cc3c2Cl)c1
InChIInChI=1S/C21H23ClN2O5S2/c1-5-24(6-2)31(26,27)14-8-9-17(29-4)16(12-14)23-21(25)20-19(22)15-11-13(28-3)7-10-18(15)30-20/h7-12H,5-6H2,1-4H3,(H,23,25)
InChIKeySZMUGEYMKSYGPJ-UHFFFAOYSA-N
XLogP4.85
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.01
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-N-(5-chloro-2-methoxyphenyl)-5-methoxy-1-benzothiophene-2-carboxamide
CID 19225752
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3,4,5-trimethoxybenzamide
CID 2913924
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-dimethoxybenzamide
CID 3482622
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-4-methoxybenzamide
CID 8501680
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4,5-dimethylthiophene-2-carboxamide
CID 31509802
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-iodobenzamide
CID 26901201
3-(diethylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 4003550
6-chloro-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]pyridine-3-carboxamide
CID 8011851
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-methoxybenzamide
CID 7936803
N-(2-butoxyphenyl)-3-chloro-5-methoxy-1-benzothiophene-2-carboxamide
CID 19225604
3-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1,1-diethylurea
CID 17257281
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-6-methoxy-2-oxochromene-3-carboxamide
CID 19207195

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-5-methoxy-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-5-methoxy-1-benzothiophene-2-carboxamide (CID 19225755) is 3-chloro-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-5-methoxy-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-5-methoxy-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-5-methoxy-1-benzothiophene-2-carboxamide is CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2sc3ccc(OC)cc3c2Cl)c1.
What is the InChIKey of 3-chloro-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-5-methoxy-1-benzothiophene-2-carboxamide?
The InChIKey is SZMUGEYMKSYGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O5S2/c1-5-24(6-2)31(26,27)14-8-9-17(29-4)16(12-14)23-21(25)20-19(22)15-11-13(28-3)7-10-18(15)30-20/h7-12H,5-6H2,1-4H3,(H,23,25).
What are the key properties of 3-chloro-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-5-methoxy-1-benzothiophene-2-carboxamide?
3-chloro-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-5-methoxy-1-benzothiophene-2-carboxamide has a molecular weight of 483.01 g/mol, XLogP of 4.85, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-5-methoxy-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 19225755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).