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

C24H25N3O6S — CID 3173107

IUPACN'-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-(2-methoxyphenyl)butanediamide
SMILESCOc1ccccc1NC(=O)CCC(=O)Nc1cc(OC)c(NC(=O)c2cccs2)cc1OC
InChIInChI=1S/C24H25N3O6S/c1-31-18-8-5-4-7-15(18)25-22(28)10-11-23(29)26-16-13-20(33-3)17(14-19(16)32-2)27-24(30)21-9-6-12-34-21/h4-9,12-14H,10-11H2,1-3H3,(H,25,28)(H,26,29)(H,27,30)
InChIKeyBFZFPSUERFIDFH-UHFFFAOYSA-N
MW483.55 g/mol
LogP4.38
Rot. Bonds10

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

N'-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-(2-methoxyphenyl)butanediamide (PubChem CID 3173107) 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-(2-methoxyphenyl)butanediamide.

Molecular Properties

Compound NameN'-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-(2-methoxyphenyl)butanediamide
PubChem CID3173107
Molecular FormulaC24H25N3O6S
Molecular Weight483.55 g/mol
Exact Mass483.15
IUPAC NameN'-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-(2-methoxyphenyl)butanediamide
SMILESCOc1ccccc1NC(=O)CCC(=O)Nc1cc(OC)c(NC(=O)c2cccs2)cc1OC
InChIInChI=1S/C24H25N3O6S/c1-31-18-8-5-4-7-15(18)25-22(28)10-11-23(29)26-16-13-20(33-3)17(14-19(16)32-2)27-24(30)21-9-6-12-34-21/h4-9,12-14H,10-11H2,1-3H3,(H,25,28)(H,26,29)(H,27,30)
InChIKeyBFZFPSUERFIDFH-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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Frequently Asked Questions

What is the IUPAC name of N'-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-(2-methoxyphenyl)butanediamide?
The IUPAC name of N'-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-(2-methoxyphenyl)butanediamide (CID 3173107) is N'-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-(2-methoxyphenyl)butanediamide.
What is the SMILES notation for N'-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-(2-methoxyphenyl)butanediamide?
The canonical SMILES for N'-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-(2-methoxyphenyl)butanediamide is COc1ccccc1NC(=O)CCC(=O)Nc1cc(OC)c(NC(=O)c2cccs2)cc1OC.
What is the InChIKey of N'-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-(2-methoxyphenyl)butanediamide?
The InChIKey is BFZFPSUERFIDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O6S/c1-31-18-8-5-4-7-15(18)25-22(28)10-11-23(29)26-16-13-20(33-3)17(14-19(16)32-2)27-24(30)21-9-6-12-34-21/h4-9,12-14H,10-11H2,1-3H3,(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-(2-methoxyphenyl)butanediamide?
N'-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-(2-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-(2-methoxyphenyl)butanediamide is sourced from PubChem (CID 3173107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).