N-[(2S)-1-[(2,4-dimethoxyphenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide

C24H26N2O4S — CID 2458151

IUPACN-[(2S)-1-[(2,4-dimethoxyphenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
SMILESCOc1ccc(CN(C)C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)c(OC)c1
InChIInChI=1S/C24H26N2O4S/c1-26(16-18-11-12-19(29-2)15-21(18)30-3)24(28)20(14-17-8-5-4-6-9-17)25-23(27)22-10-7-13-31-22/h4-13,15,20H,14,16H2,1-3H3,(H,25,27)/t20-/m0/s1
InChIKeyCZBWRZPDPYTZIB-FQEVSTJZSA-N
MW438.55 g/mol
LogP3.77
Rot. Bonds9

About N-[(2S)-1-[(2,4-dimethoxyphenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide

N-[(2S)-1-[(2,4-dimethoxyphenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide (PubChem CID 2458151) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-[(2S)-1-[(2,4-dimethoxyphenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[(2,4-dimethoxyphenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
PubChem CID2458151
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC NameN-[(2S)-1-[(2,4-dimethoxyphenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
SMILESCOc1ccc(CN(C)C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)c(OC)c1
InChIInChI=1S/C24H26N2O4S/c1-26(16-18-11-12-19(29-2)15-21(18)30-3)24(28)20(14-17-8-5-4-6-9-17)25-23(27)22-10-7-13-31-22/h4-13,15,20H,14,16H2,1-3H3,(H,25,27)/t20-/m0/s1
InChIKeyCZBWRZPDPYTZIB-FQEVSTJZSA-N
XLogP3.77
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-1-[(2,4-dimethoxyphenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide with MolForge

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Related Compounds

N-[(2S)-1-[(3-methoxyphenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 41104628
N-[1-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 24682463
N-[(2S)-1-[methyl-[(2-methylphenyl)methyl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 24546913
N-[1-[(2,4-difluorophenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 55536599
N-[1-[(2,5-dimethoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 55548169
N-[1-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 4780412
N-[3-[[[(2,4-dimethoxyphenyl)methyl-methylamino]-(ethylamino)methylidene]amino]propyl]thiophene-2-carboxamide;hydroiodide
CID 111296588
N-[(2S)-1-[methyl-[2-(3-methylphenoxy)ethyl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 24552177
N-[(2S)-1-oxo-3-phenyl-1-(3,4,5-trimethoxyanilino)propan-2-yl]thiophene-2-carboxamide
CID 36670866
N-[(2S)-1-[2-(4-methoxyphenoxy)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 24504234
N-[(2S)-1-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 31549169
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 112790494

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(2,4-dimethoxyphenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[(2S)-1-[(2,4-dimethoxyphenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide (CID 2458151) is N-[(2S)-1-[(2,4-dimethoxyphenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-[(2,4-dimethoxyphenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[(2S)-1-[(2,4-dimethoxyphenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide is COc1ccc(CN(C)C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)c(OC)c1.
What is the InChIKey of N-[(2S)-1-[(2,4-dimethoxyphenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?
The InChIKey is CZBWRZPDPYTZIB-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-26(16-18-11-12-19(29-2)15-21(18)30-3)24(28)20(14-17-8-5-4-6-9-17)25-23(27)22-10-7-13-31-22/h4-13,15,20H,14,16H2,1-3H3,(H,25,27)/t20-/m0/s1.
What are the key properties of N-[(2S)-1-[(2,4-dimethoxyphenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?
N-[(2S)-1-[(2,4-dimethoxyphenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide has a molecular weight of 438.55 g/mol, XLogP of 3.77, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(2,4-dimethoxyphenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 2458151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).