N'-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-(3-methoxyphenyl)butanediamide

C24H25N3O6S — CID 3173108

IUPACN'-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-(3-methoxyphenyl)butanediamide
SMILESCOc1cccc(NC(=O)CCC(=O)Nc2cc(OC)c(NC(=O)c3cccs3)cc2OC)c1
InChIInChI=1S/C24H25N3O6S/c1-31-16-7-4-6-15(12-16)25-22(28)9-10-23(29)26-17-13-20(33-3)18(14-19(17)32-2)27-24(30)21-8-5-11-34-21/h4-8,11-14H,9-10H2,1-3H3,(H,25,28)(H,26,29)(H,27,30)
InChIKeyJZUJCEYKASWUMF-UHFFFAOYSA-N
MW483.55 g/mol
LogP4.38
Rot. Bonds10

About N'-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-(3-methoxyphenyl)butanediamide

N'-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-(3-methoxyphenyl)butanediamide (PubChem CID 3173108) has the molecular formula C24H25N3O6S and a molecular weight of 483.55 g/mol. Its IUPAC name is N'-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-(3-methoxyphenyl)butanediamide.

Molecular Properties

Compound NameN'-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-(3-methoxyphenyl)butanediamide
PubChem CID3173108
Molecular FormulaC24H25N3O6S
Molecular Weight483.55 g/mol
Exact Mass483.15
IUPAC NameN'-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-(3-methoxyphenyl)butanediamide
SMILESCOc1cccc(NC(=O)CCC(=O)Nc2cc(OC)c(NC(=O)c3cccs3)cc2OC)c1
InChIInChI=1S/C24H25N3O6S/c1-31-16-7-4-6-15(12-16)25-22(28)9-10-23(29)26-17-13-20(33-3)18(14-19(17)32-2)27-24(30)21-8-5-11-34-21/h4-8,11-14H,9-10H2,1-3H3,(H,25,28)(H,26,29)(H,27,30)
InChIKeyJZUJCEYKASWUMF-UHFFFAOYSA-N
XLogP4.38
TPSA114.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 790310
Gsk0660
CID 46233311
Acetamide, N-(2,5-dimethoxyphenyl)-2-phenylthio-
CID 532046
N-(2,5-dimethoxyphenyl)-4-phenylsulfanylbutanamide
CID 4826814
Methyl 3-[(2,5-dimethoxyphenyl)carbamoylamino]thiophene-2-carboxylate
CID 17284901
N-(2-methoxyphenyl)thiophene-2-carboxamide
CID 764595
N-(2,5-dimethoxyphenyl)-2-thiophen-2-ylacetamide
CID 531788
N-(2-phenoxyphenyl)thiophene-2-carboxamide
CID 729387
N-[2,5-dimethoxy-4-[[oxo(thiophen-2-yl)methyl]amino]phenyl]-2-furancarboxamide
CID 648371
N-[2-(2,5-dimethoxyanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 934503
N-(4-{[(4-methoxyphenoxy)acetyl]amino}phenyl)thiophene-2-carboxamide
CID 1077053
N-(4-{[(2,4-dimethylphenyl)carbonyl]amino}-2-methoxyphenyl)thiophene-2-carboxamide
CID 1088354

Frequently Asked Questions

What is the IUPAC name of N'-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-(3-methoxyphenyl)butanediamide?
The IUPAC name of N'-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-(3-methoxyphenyl)butanediamide (CID 3173108) is N'-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-(3-methoxyphenyl)butanediamide.
What is the SMILES notation for N'-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-(3-methoxyphenyl)butanediamide?
The canonical SMILES for N'-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-(3-methoxyphenyl)butanediamide is COc1cccc(NC(=O)CCC(=O)Nc2cc(OC)c(NC(=O)c3cccs3)cc2OC)c1.
What is the InChIKey of N'-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-(3-methoxyphenyl)butanediamide?
The InChIKey is JZUJCEYKASWUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O6S/c1-31-16-7-4-6-15(12-16)25-22(28)9-10-23(29)26-17-13-20(33-3)18(14-19(17)32-2)27-24(30)21-8-5-11-34-21/h4-8,11-14H,9-10H2,1-3H3,(H,25,28)(H,26,29)(H,27,30).
What are the key properties of N'-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-(3-methoxyphenyl)butanediamide?
N'-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-(3-methoxyphenyl)butanediamide has a molecular weight of 483.55 g/mol, XLogP of 4.38, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-(3-methoxyphenyl)butanediamide is sourced from PubChem (CID 3173108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).