N-[3-[methyl-[(2,3,4-trimethoxyphenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide

C23H24N2O5S — CID 18113327

IUPACN-[3-[methyl-[(2,3,4-trimethoxyphenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2cccc(NC(=O)c3cccs3)c2)c(OC)c1OC
InChIInChI=1S/C23H24N2O5S/c1-25(14-16-10-11-18(28-2)21(30-4)20(16)29-3)23(27)15-7-5-8-17(13-15)24-22(26)19-9-6-12-31-19/h5-13H,14H2,1-4H3,(H,24,26)
InChIKeyOUZBYWGBOOJYJW-UHFFFAOYSA-N
MW440.52 g/mol
LogP4.30
Rot. Bonds8

About N-[3-[methyl-[(2,3,4-trimethoxyphenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide

N-[3-[methyl-[(2,3,4-trimethoxyphenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 18113327) has the molecular formula C23H24N2O5S and a molecular weight of 440.52 g/mol. Its IUPAC name is N-[3-[methyl-[(2,3,4-trimethoxyphenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[methyl-[(2,3,4-trimethoxyphenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID18113327
Molecular FormulaC23H24N2O5S
Molecular Weight440.52 g/mol
Exact Mass440.14
IUPAC NameN-[3-[methyl-[(2,3,4-trimethoxyphenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2cccc(NC(=O)c3cccs3)c2)c(OC)c1OC
InChIInChI=1S/C23H24N2O5S/c1-25(14-16-10-11-18(28-2)21(30-4)20(16)29-3)23(27)15-7-5-8-17(13-15)24-22(26)19-9-6-12-31-19/h5-13H,14H2,1-4H3,(H,24,26)
InChIKeyOUZBYWGBOOJYJW-UHFFFAOYSA-N
XLogP4.30
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-[methyl-[(2,3,4-trimethoxyphenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[(2,4-difluorophenyl)methyl-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 30707274
N-[3-[(4-bromophenyl)methyl-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 32758172
N-[3-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 9227180
N-[3-[(5-bromothiophen-2-yl)methyl-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 27839457
N-[3-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 18111806
N-[3-[(2,5-dimethoxyphenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 33102267
N-[3-[(2-anilino-2-oxoethyl)-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55637692
N-[3-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 31370190
(2-methoxy-5-methylphenyl)methyl 3-(thiophene-2-carbonylamino)benzoate
CID 7644966
N-[(2,3-dimethoxyphenyl)methyl]-3-(methanesulfonamido)-N-methylbenzamide
CID 18112138
N-[3-[(3-amino-4-methylpentyl)-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 119660635
N-[3-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 9299373

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl-[(2,3,4-trimethoxyphenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[methyl-[(2,3,4-trimethoxyphenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide (CID 18113327) is N-[3-[methyl-[(2,3,4-trimethoxyphenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[methyl-[(2,3,4-trimethoxyphenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[methyl-[(2,3,4-trimethoxyphenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide is COc1ccc(CN(C)C(=O)c2cccc(NC(=O)c3cccs3)c2)c(OC)c1OC.
What is the InChIKey of N-[3-[methyl-[(2,3,4-trimethoxyphenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is OUZBYWGBOOJYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5S/c1-25(14-16-10-11-18(28-2)21(30-4)20(16)29-3)23(27)15-7-5-8-17(13-15)24-22(26)19-9-6-12-31-19/h5-13H,14H2,1-4H3,(H,24,26).
What are the key properties of N-[3-[methyl-[(2,3,4-trimethoxyphenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide?
N-[3-[methyl-[(2,3,4-trimethoxyphenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 440.52 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl-[(2,3,4-trimethoxyphenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 18113327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).