N-(3,5-dimethoxyphenyl)-3-(dimethylsulfamoyl)-5-(thiophen-2-ylmethylamino)benzamide

C22H25N3O5S2 — CID 26143018

IUPACN-(3,5-dimethoxyphenyl)-3-(dimethylsulfamoyl)-5-(thiophen-2-ylmethylamino)benzamide
SMILESCOc1cc(NC(=O)c2cc(NCc3cccs3)cc(S(=O)(=O)N(C)C)c2)cc(OC)c1
InChIInChI=1S/C22H25N3O5S2/c1-25(2)32(27,28)21-9-15(8-16(12-21)23-14-20-6-5-7-31-20)22(26)24-17-10-18(29-3)13-19(11-17)30-4/h5-13,23H,14H2,1-4H3,(H,24,26)
InChIKeyJPJNIXYHFRZTQP-UHFFFAOYSA-N
MW475.59 g/mol
LogP3.88
Rot. Bonds9

About N-(3,5-dimethoxyphenyl)-3-(dimethylsulfamoyl)-5-(thiophen-2-ylmethylamino)benzamide

N-(3,5-dimethoxyphenyl)-3-(dimethylsulfamoyl)-5-(thiophen-2-ylmethylamino)benzamide (PubChem CID 26143018) has the molecular formula C22H25N3O5S2 and a molecular weight of 475.59 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-3-(dimethylsulfamoyl)-5-(thiophen-2-ylmethylamino)benzamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-3-(dimethylsulfamoyl)-5-(thiophen-2-ylmethylamino)benzamide
PubChem CID26143018
Molecular FormulaC22H25N3O5S2
Molecular Weight475.59 g/mol
Exact Mass475.12
IUPAC NameN-(3,5-dimethoxyphenyl)-3-(dimethylsulfamoyl)-5-(thiophen-2-ylmethylamino)benzamide
SMILESCOc1cc(NC(=O)c2cc(NCc3cccs3)cc(S(=O)(=O)N(C)C)c2)cc(OC)c1
InChIInChI=1S/C22H25N3O5S2/c1-25(2)32(27,28)21-9-15(8-16(12-21)23-14-20-6-5-7-31-20)22(26)24-17-10-18(29-3)13-19(11-17)30-4/h5-13,23H,14H2,1-4H3,(H,24,26)
InChIKeyJPJNIXYHFRZTQP-UHFFFAOYSA-N
XLogP3.88
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,5-dimethoxyphenyl)-3-[(2,5-dimethylphenyl)methylamino]-5-(dimethylsulfamoyl)benzamide
CID 26134839
3-(1-benzothiophen-2-ylmethylamino)-N-(4-methoxyphenyl)-5-(methylsulfamoyl)benzamide
CID 26222119
3-(tert-butylsulfamoyl)-N-(3,5-dimethoxyphenyl)benzamide
CID 9096794
N-[3-(dimethylsulfamoyl)phenyl]-2-[(2-methoxyphenyl)methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 31479938
3-(dimethylsulfamoyl)-N-(1H-indazol-6-yl)-5-[(5-methylthiophen-2-yl)methylamino]benzamide
CID 26139855
2-(3,5-dimethoxyphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 7713817
5-(thiophen-2-ylmethylamino)benzene-1,3-dicarboxamide
CID 28711815
(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl(thiophen-2-ylmethyl)amino]propanamide
CID 8517017
4-(dimethylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide
CID 1272637
N-(2-acetamidoethyl)-3-(dimethylsulfamoyl)-5-(furan-3-ylmethylamino)benzamide
CID 26222863
3-(dimethylsulfamoyl)-N-(1H-indazol-6-yl)-5-(thiophen-3-ylmethylamino)benzamide
CID 26227458
N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 37261170

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-3-(dimethylsulfamoyl)-5-(thiophen-2-ylmethylamino)benzamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-3-(dimethylsulfamoyl)-5-(thiophen-2-ylmethylamino)benzamide (CID 26143018) is N-(3,5-dimethoxyphenyl)-3-(dimethylsulfamoyl)-5-(thiophen-2-ylmethylamino)benzamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-3-(dimethylsulfamoyl)-5-(thiophen-2-ylmethylamino)benzamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-3-(dimethylsulfamoyl)-5-(thiophen-2-ylmethylamino)benzamide is COc1cc(NC(=O)c2cc(NCc3cccs3)cc(S(=O)(=O)N(C)C)c2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-3-(dimethylsulfamoyl)-5-(thiophen-2-ylmethylamino)benzamide?
The InChIKey is JPJNIXYHFRZTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5S2/c1-25(2)32(27,28)21-9-15(8-16(12-21)23-14-20-6-5-7-31-20)22(26)24-17-10-18(29-3)13-19(11-17)30-4/h5-13,23H,14H2,1-4H3,(H,24,26).
What are the key properties of N-(3,5-dimethoxyphenyl)-3-(dimethylsulfamoyl)-5-(thiophen-2-ylmethylamino)benzamide?
N-(3,5-dimethoxyphenyl)-3-(dimethylsulfamoyl)-5-(thiophen-2-ylmethylamino)benzamide has a molecular weight of 475.59 g/mol, XLogP of 3.88, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-3-(dimethylsulfamoyl)-5-(thiophen-2-ylmethylamino)benzamide is sourced from PubChem (CID 26143018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).