N-[2-[[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoyl]amino]ethyl]thiophene-2-carboxamide

C24H25N3O5S — CID 121062906

IUPACN-[2-[[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoyl]amino]ethyl]thiophene-2-carboxamide
SMILESCOc1ccc(CC(=O)Nc2ccc(C(=O)NCCNC(=O)c3cccs3)cc2)cc1OC
InChIInChI=1S/C24H25N3O5S/c1-31-19-10-5-16(14-20(19)32-2)15-22(28)27-18-8-6-17(7-9-18)23(29)25-11-12-26-24(30)21-4-3-13-33-21/h3-10,13-14H,11-12,15H2,1-2H3,(H,25,29)(H,26,30)(H,27,28)
InChIKeyVOBXXKOCLVFDGT-UHFFFAOYSA-N
MW467.55 g/mol
LogP3.11
Rot. Bonds10

About N-[2-[[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoyl]amino]ethyl]thiophene-2-carboxamide

N-[2-[[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoyl]amino]ethyl]thiophene-2-carboxamide (PubChem CID 121062906) has the molecular formula C24H25N3O5S and a molecular weight of 467.55 g/mol. Its IUPAC name is N-[2-[[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoyl]amino]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoyl]amino]ethyl]thiophene-2-carboxamide
PubChem CID121062906
Molecular FormulaC24H25N3O5S
Molecular Weight467.55 g/mol
Exact Mass467.15
IUPAC NameN-[2-[[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoyl]amino]ethyl]thiophene-2-carboxamide
SMILESCOc1ccc(CC(=O)Nc2ccc(C(=O)NCCNC(=O)c3cccs3)cc2)cc1OC
InChIInChI=1S/C24H25N3O5S/c1-31-19-10-5-16(14-20(19)32-2)15-22(28)27-18-8-6-17(7-9-18)23(29)25-11-12-26-24(30)21-4-3-13-33-21/h3-10,13-14H,11-12,15H2,1-2H3,(H,25,29)(H,26,30)(H,27,28)
InChIKeyVOBXXKOCLVFDGT-UHFFFAOYSA-N
XLogP3.11
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55753151
N-[2-[[4-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzoyl]amino]ethyl]thiophene-2-carboxamide
CID 121063035
N-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzamide
CID 121062396
N-[2-[(3,4-dimethoxyphenyl)methylamino]ethyl]thiophene-2-carboxamide
CID 3156849
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide
CID 22427360
N-[2-[[4-[(3-methoxyphenyl)carbamoylamino]benzoyl]amino]ethyl]thiophene-2-carboxamide
CID 121063056
4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoic acid
CID 2738551
N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]-4-phenylbenzamide
CID 108538456
N-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-2,5-diethoxyphenyl]thiophene-2-carboxamide
CID 3874381
N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17497310
N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 123864348
N-(4-tert-butylphenyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 7741769

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoyl]amino]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoyl]amino]ethyl]thiophene-2-carboxamide (CID 121062906) is N-[2-[[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoyl]amino]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoyl]amino]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoyl]amino]ethyl]thiophene-2-carboxamide is COc1ccc(CC(=O)Nc2ccc(C(=O)NCCNC(=O)c3cccs3)cc2)cc1OC.
What is the InChIKey of N-[2-[[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoyl]amino]ethyl]thiophene-2-carboxamide?
The InChIKey is VOBXXKOCLVFDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5S/c1-31-19-10-5-16(14-20(19)32-2)15-22(28)27-18-8-6-17(7-9-18)23(29)25-11-12-26-24(30)21-4-3-13-33-21/h3-10,13-14H,11-12,15H2,1-2H3,(H,25,29)(H,26,30)(H,27,28).
What are the key properties of N-[2-[[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoyl]amino]ethyl]thiophene-2-carboxamide?
N-[2-[[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoyl]amino]ethyl]thiophene-2-carboxamide has a molecular weight of 467.55 g/mol, XLogP of 3.11, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoyl]amino]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 121062906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).