N-[(2,4-dimethoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide

C20H20N2O5S2 — CID 55578020

IUPACN-[(2,4-dimethoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESCOc1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c(OC)c1
InChIInChI=1S/C20H20N2O5S2/c1-26-17-10-7-15(18(12-17)27-2)13-21-20(23)14-5-8-16(9-6-14)22-29(24,25)19-4-3-11-28-19/h3-12,22H,13H2,1-2H3,(H,21,23)
InChIKeyKKVJAIRFBXFUFI-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.50
Rot. Bonds8

About N-[(2,4-dimethoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide

N-[(2,4-dimethoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 55578020) has the molecular formula C20H20N2O5S2 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID55578020
Molecular FormulaC20H20N2O5S2
Molecular Weight432.52 g/mol
Exact Mass432.08
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESCOc1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c(OC)c1
InChIInChI=1S/C20H20N2O5S2/c1-26-17-10-7-15(18(12-17)27-2)13-21-20(23)14-5-8-16(9-6-14)22-29(24,25)19-4-3-11-28-19/h3-12,22H,13H2,1-2H3,(H,21,23)
InChIKeyKKVJAIRFBXFUFI-UHFFFAOYSA-N
XLogP3.50
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 15997618
N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 39207534
methyl 2-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]acetate
CID 8840841
N-[[4-(methoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 37316745
N-[[3-(methoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 55727615
N-[(2,4-dimethoxyphenyl)methyl]-4-phenylbenzamide
CID 46590205
N-[4-[[(2-bromo-5-methoxybenzoyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 24982596
4-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]benzamide
CID 71822536
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 37138088
N-[[3-(phenoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 55954536
N-ethoxy-4-(thiophen-2-ylsulfonylamino)benzamide
CID 17470879
N-[2-(2,4-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 110601518

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide (CID 55578020) is N-[(2,4-dimethoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide is COc1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is KKVJAIRFBXFUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5S2/c1-26-17-10-7-15(18(12-17)27-2)13-21-20(23)14-5-8-16(9-6-14)22-29(24,25)19-4-3-11-28-19/h3-12,22H,13H2,1-2H3,(H,21,23).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
N-[(2,4-dimethoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 432.52 g/mol, XLogP of 3.50, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 55578020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).