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

C24H25N3O5S — CID 1139093

IUPACN'-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-(4-methylphenyl)butanediamide
SMILESCOc1cc(NC(=O)c2cccs2)c(OC)cc1NC(=O)CCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C24H25N3O5S/c1-15-6-8-16(9-7-15)25-22(28)10-11-23(29)26-17-13-20(32-3)18(14-19(17)31-2)27-24(30)21-5-4-12-33-21/h4-9,12-14H,10-11H2,1-3H3,(H,25,28)(H,26,29)(H,27,30)
InChIKeyXPMYFDMRLSDJPW-UHFFFAOYSA-N
MW467.55 g/mol
LogP4.68
Rot. Bonds9

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

N'-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-(4-methylphenyl)butanediamide (PubChem CID 1139093) has the molecular formula C24H25N3O5S and a molecular weight of 467.55 g/mol. Its IUPAC name is N'-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-(4-methylphenyl)butanediamide.

Molecular Properties

Compound NameN'-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-(4-methylphenyl)butanediamide
PubChem CID1139093
Molecular FormulaC24H25N3O5S
Molecular Weight467.55 g/mol
Exact Mass467.15
IUPAC NameN'-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-(4-methylphenyl)butanediamide
SMILESCOc1cc(NC(=O)c2cccs2)c(OC)cc1NC(=O)CCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C24H25N3O5S/c1-15-6-8-16(9-7-15)25-22(28)10-11-23(29)26-17-13-20(32-3)18(14-19(17)31-2)27-24(30)21-5-4-12-33-21/h4-9,12-14H,10-11H2,1-3H3,(H,25,28)(H,26,29)(H,27,30)
InChIKeyXPMYFDMRLSDJPW-UHFFFAOYSA-N
XLogP4.68
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-{2-[(2-methoxyanilino)carbonyl]phenyl}-2-thiophenecarboxamide
CID 1116978
N-(2,5-dimethoxyphenyl)-2-thiophen-2-ylacetamide
CID 531788
N-[2-(2,5-dimethoxyanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 934503
N-(2,5-dimethoxyphenyl)-2-(methylthio)benzamide
CID 966884
N-(4-{[(2,4-dimethylphenyl)carbonyl]amino}-2-methoxyphenyl)thiophene-2-carboxamide
CID 1088354
N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]thiophene-2-carboxamide
CID 1092658
N-{2,5-dimethoxy-4-[(2-thienylacetyl)amino]phenyl}benzamide
CID 1164412
N-[4-({[(2,4-dimethylbenzoyl)amino]carbonothioyl}amino)-2-methoxyphenyl]-2-thiophenecarboxamide
CID 1288468
N-{3-methoxy-4-[(phenylacetyl)amino]phenyl}-2-thiophenecarboxamide
CID 1298832
N-[2-methoxy-4-[(2-methylbenzoyl)carbamothioylamino]phenyl]thiophene-2-carboxamide
CID 1319207
N-[4-({[(4-tert-butylphenyl)carbonyl]carbamothioyl}amino)-2-methoxyphenyl]thiophene-2-carboxamide
CID 1322277
Thiophene-2-carboxylic acid (2,5-dimethoxy-4-phenylacetylamino-phenyl)-amide
CID 1428071

Frequently Asked Questions

What is the IUPAC name of N'-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-(4-methylphenyl)butanediamide?
The IUPAC name of N'-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-(4-methylphenyl)butanediamide (CID 1139093) is N'-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-(4-methylphenyl)butanediamide.
What is the SMILES notation for N'-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-(4-methylphenyl)butanediamide?
The canonical SMILES for N'-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-(4-methylphenyl)butanediamide is COc1cc(NC(=O)c2cccs2)c(OC)cc1NC(=O)CCC(=O)Nc1ccc(C)cc1.
What is the InChIKey of N'-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-(4-methylphenyl)butanediamide?
The InChIKey is XPMYFDMRLSDJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5S/c1-15-6-8-16(9-7-15)25-22(28)10-11-23(29)26-17-13-20(32-3)18(14-19(17)31-2)27-24(30)21-5-4-12-33-21/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-(4-methylphenyl)butanediamide?
N'-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-(4-methylphenyl)butanediamide has a molecular weight of 467.55 g/mol, XLogP of 4.68, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-(4-methylphenyl)butanediamide is sourced from PubChem (CID 1139093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).