N-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-2,5-diethoxyphenyl]thiophene-2-carboxamide

C25H28N2O6S — CID 3874381

IUPACN-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-2,5-diethoxyphenyl]thiophene-2-carboxamide
SMILESCCOc1cc(NC(=O)c2cccs2)c(OCC)cc1NC(=O)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C25H28N2O6S/c1-5-32-20-15-18(27-25(29)23-8-7-11-34-23)21(33-6-2)14-17(20)26-24(28)13-16-9-10-19(30-3)22(12-16)31-4/h7-12,14-15H,5-6,13H2,1-4H3,(H,26,28)(H,27,29)
InChIKeyBNISHPYPZHUXAV-UHFFFAOYSA-N
MW484.57 g/mol
LogP5.00
Rot. Bonds11

About N-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-2,5-diethoxyphenyl]thiophene-2-carboxamide

N-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-2,5-diethoxyphenyl]thiophene-2-carboxamide (PubChem CID 3874381) has the molecular formula C25H28N2O6S and a molecular weight of 484.57 g/mol. Its IUPAC name is N-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-2,5-diethoxyphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-2,5-diethoxyphenyl]thiophene-2-carboxamide
PubChem CID3874381
Molecular FormulaC25H28N2O6S
Molecular Weight484.57 g/mol
Exact Mass484.17
IUPAC NameN-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-2,5-diethoxyphenyl]thiophene-2-carboxamide
SMILESCCOc1cc(NC(=O)c2cccs2)c(OCC)cc1NC(=O)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C25H28N2O6S/c1-5-32-20-15-18(27-25(29)23-8-7-11-34-23)21(33-6-2)14-17(20)26-24(28)13-16-9-10-19(30-3)22(12-16)31-4/h7-12,14-15H,5-6,13H2,1-4H3,(H,26,28)(H,27,29)
InChIKeyBNISHPYPZHUXAV-UHFFFAOYSA-N
XLogP5.00
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.57
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-acetamido-2,5-diethoxyphenyl)thiophene-2-carboxamide
CID 863526
N-[4-(3-chloropropanoylamino)-2,5-diethoxyphenyl]thiophene-2-carboxamide
CID 3690006
N-[2-[(2-aminoacetyl)amino]-4,5-dimethoxyphenyl]thiophene-2-carboxamide
CID 39184898
N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 123864348
ethyl 2-[2,5-diethoxy-4-(thiophene-2-carbonylamino)anilino]-2-oxoacetate
CID 3189536
4-[2,5-diethoxy-4-(thiophene-2-carbonylamino)anilino]-4-oxobut-2-enoic acid
CID 1374365
N-[2-[[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoyl]amino]ethyl]thiophene-2-carboxamide
CID 121062906
N-[2,5-diethoxy-4-[(2-thiophen-2-ylacetyl)amino]phenyl]-4-methoxybenzamide
CID 1441376
N-[4-[[2-(4-chlorophenyl)acetyl]amino]-2-methoxyphenyl]thiophene-2-carboxamide
CID 3161370
2-(3,4-dimethoxyphenyl)-N-(2-ethylphenyl)acetamide
CID 2674953
N'-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-(2,3-dimethylphenyl)butanediamide
CID 1139091
N-[5-[(3,4-dimethoxyphenyl)methylamino]-2-pyridinyl]thiophene-2-carboxamide
CID 113029060

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-2,5-diethoxyphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-2,5-diethoxyphenyl]thiophene-2-carboxamide (CID 3874381) is N-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-2,5-diethoxyphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-2,5-diethoxyphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-2,5-diethoxyphenyl]thiophene-2-carboxamide is CCOc1cc(NC(=O)c2cccs2)c(OCC)cc1NC(=O)Cc1ccc(OC)c(OC)c1.
What is the InChIKey of N-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-2,5-diethoxyphenyl]thiophene-2-carboxamide?
The InChIKey is BNISHPYPZHUXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O6S/c1-5-32-20-15-18(27-25(29)23-8-7-11-34-23)21(33-6-2)14-17(20)26-24(28)13-16-9-10-19(30-3)22(12-16)31-4/h7-12,14-15H,5-6,13H2,1-4H3,(H,26,28)(H,27,29).
What are the key properties of N-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-2,5-diethoxyphenyl]thiophene-2-carboxamide?
N-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-2,5-diethoxyphenyl]thiophene-2-carboxamide has a molecular weight of 484.57 g/mol, XLogP of 5.00, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-2,5-diethoxyphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 3874381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).