N-[(2,4-dimethoxyphenyl)methyl]-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide

C22H24N2O5S2 — CID 50834607

IUPACN-[(2,4-dimethoxyphenyl)methyl]-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2sccc2N(C)S(=O)(=O)c2ccc(C)cc2)c(OC)c1
InChIInChI=1S/C22H24N2O5S2/c1-15-5-9-18(10-6-15)31(26,27)24(2)19-11-12-30-21(19)22(25)23-14-16-7-8-17(28-3)13-20(16)29-4/h5-13H,14H2,1-4H3,(H,23,25)
InChIKeyPSRYDLWYDQVSQY-UHFFFAOYSA-N
MW460.58 g/mol
LogP3.83
Rot. Bonds8

About N-[(2,4-dimethoxyphenyl)methyl]-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide

N-[(2,4-dimethoxyphenyl)methyl]-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide (PubChem CID 50834607) has the molecular formula C22H24N2O5S2 and a molecular weight of 460.58 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide
PubChem CID50834607
Molecular FormulaC22H24N2O5S2
Molecular Weight460.58 g/mol
Exact Mass460.11
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2sccc2N(C)S(=O)(=O)c2ccc(C)cc2)c(OC)c1
InChIInChI=1S/C22H24N2O5S2/c1-15-5-9-18(10-6-15)31(26,27)24(2)19-11-12-30-21(19)22(25)23-14-16-7-8-17(28-3)13-20(16)29-4/h5-13H,14H2,1-4H3,(H,23,25)
InChIKeyPSRYDLWYDQVSQY-UHFFFAOYSA-N
XLogP3.83
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-methoxyphenyl)methyl]-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide
CID 46391674
N-(3-methoxyphenyl)-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide
CID 46391741
N-[(4-ethylphenyl)methyl]-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide
CID 46391672
N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-methoxyphenyl)sulfonyl-methylamino]thiophene-2-carboxamide
CID 46391702
3-[methyl-(4-methylphenyl)sulfonylamino]-N-pentylthiophene-2-carboxamide
CID 46391668
3-[benzenesulfonyl(methyl)amino]-N-[(4-ethoxyphenyl)methyl]thiophene-2-carboxamide
CID 46391656
N-[(2-methoxyphenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 1305730
N-(4-ethylphenyl)-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide
CID 46391737
N-(3-ethylphenyl)-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide
CID 46391736
2-chloro-5-(diethylsulfamoyl)-N-[(2,4-dimethoxyphenyl)methyl]benzamide
CID 46387538
3-[(4-chlorophenyl)sulfonyl-methylamino]-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 51364501
2-(2,4-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 9428047

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide (CID 50834607) is N-[(2,4-dimethoxyphenyl)methyl]-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide is COc1ccc(CNC(=O)c2sccc2N(C)S(=O)(=O)c2ccc(C)cc2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide?
The InChIKey is PSRYDLWYDQVSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5S2/c1-15-5-9-18(10-6-15)31(26,27)24(2)19-11-12-30-21(19)22(25)23-14-16-7-8-17(28-3)13-20(16)29-4/h5-13H,14H2,1-4H3,(H,23,25).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide?
N-[(2,4-dimethoxyphenyl)methyl]-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide has a molecular weight of 460.58 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-3-[methyl-(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide is sourced from PubChem (CID 50834607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).