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

C21H20N2O4S — CID 46484966

IUPACN-[[4-[(2,4-dimethoxyphenyl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(CNC(=O)c3cccs3)cc2)c(OC)c1
InChIInChI=1S/C21H20N2O4S/c1-26-16-9-10-17(18(12-16)27-2)23-20(24)15-7-5-14(6-8-15)13-22-21(25)19-4-3-11-28-19/h3-12H,13H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyJECVMVICWNNJSP-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.95
Rot. Bonds7

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

N-[[4-[(2,4-dimethoxyphenyl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide (PubChem CID 46484966) has the molecular formula C21H20N2O4S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-[[4-[(2,4-dimethoxyphenyl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[(2,4-dimethoxyphenyl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide
PubChem CID46484966
Molecular FormulaC21H20N2O4S
Molecular Weight396.47 g/mol
Exact Mass396.11
IUPAC NameN-[[4-[(2,4-dimethoxyphenyl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(CNC(=O)c3cccs3)cc2)c(OC)c1
InChIInChI=1S/C21H20N2O4S/c1-26-16-9-10-17(18(12-16)27-2)23-20(24)15-7-5-14(6-8-15)13-22-21(25)19-4-3-11-28-19/h3-12H,13H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyJECVMVICWNNJSP-UHFFFAOYSA-N
XLogP3.95
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55755853
N-[[4-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55753151
N-[(2,4-dimethoxyphenyl)carbamothioyl]thiophene-2-carboxamide
CID 2901650
3-N-(2,4-dimethoxyphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055230
N-[4-[[4-methoxy-2-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 2972176
N-[2-methoxy-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 3161512
1-(2,4-dimethoxyphenyl)-3-(thiophene-2-carbonylamino)thiourea
CID 1496159
N-(2,4-dimethoxyphenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515403
N-(2,4-dimethoxyphenyl)-4-phenylbenzamide
CID 602380
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate
CID 23849455
4-amino-N-(2,4-dimethoxyphenyl)benzamide
CID 8566750
N-(2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 2832276

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2,4-dimethoxyphenyl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[4-[(2,4-dimethoxyphenyl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide (CID 46484966) is N-[[4-[(2,4-dimethoxyphenyl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[4-[(2,4-dimethoxyphenyl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[4-[(2,4-dimethoxyphenyl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide is COc1ccc(NC(=O)c2ccc(CNC(=O)c3cccs3)cc2)c(OC)c1.
What is the InChIKey of N-[[4-[(2,4-dimethoxyphenyl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is JECVMVICWNNJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4S/c1-26-16-9-10-17(18(12-16)27-2)23-20(24)15-7-5-14(6-8-15)13-22-21(25)19-4-3-11-28-19/h3-12H,13H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-[[4-[(2,4-dimethoxyphenyl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
N-[[4-[(2,4-dimethoxyphenyl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 396.47 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2,4-dimethoxyphenyl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 46484966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).