3-(thiophene-2-carbonylamino)propyl 3-(3,4-dimethoxyphenyl)propanoate

C19H23NO5S — CID 84559141

IUPAC3-(thiophene-2-carbonylamino)propyl 3-(3,4-dimethoxyphenyl)propanoate
SMILESCOc1ccc(CCC(=O)OCCCNC(=O)c2cccs2)cc1OC
InChIInChI=1S/C19H23NO5S/c1-23-15-8-6-14(13-16(15)24-2)7-9-18(21)25-11-4-10-20-19(22)17-5-3-12-26-17/h3,5-6,8,12-13H,4,7,9-11H2,1-2H3,(H,20,22)
InChIKeyZEKWXIMCGSTXLB-UHFFFAOYSA-N
MW377.46 g/mol
LogP3.06
Rot. Bonds10

About 3-(thiophene-2-carbonylamino)propyl 3-(3,4-dimethoxyphenyl)propanoate

3-(thiophene-2-carbonylamino)propyl 3-(3,4-dimethoxyphenyl)propanoate (PubChem CID 84559141) has the molecular formula C19H23NO5S and a molecular weight of 377.46 g/mol. Its IUPAC name is 3-(thiophene-2-carbonylamino)propyl 3-(3,4-dimethoxyphenyl)propanoate.

Molecular Properties

Compound Name3-(thiophene-2-carbonylamino)propyl 3-(3,4-dimethoxyphenyl)propanoate
PubChem CID84559141
Molecular FormulaC19H23NO5S
Molecular Weight377.46 g/mol
Exact Mass377.13
IUPAC Name3-(thiophene-2-carbonylamino)propyl 3-(3,4-dimethoxyphenyl)propanoate
SMILESCOc1ccc(CCC(=O)OCCCNC(=O)c2cccs2)cc1OC
InChIInChI=1S/C19H23NO5S/c1-23-15-8-6-14(13-16(15)24-2)7-9-18(21)25-11-4-10-20-19(22)17-5-3-12-26-17/h3,5-6,8,12-13H,4,7,9-11H2,1-2H3,(H,20,22)
InChIKeyZEKWXIMCGSTXLB-UHFFFAOYSA-N
XLogP3.06
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-(thiophene-2-carbonylamino)propyl 3-(3,4-dimethoxyphenyl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[[[2-(3,4-dimethoxyphenyl)ethylamino]-(ethylamino)methylidene]amino]propyl]thiophene-2-carboxamide
CID 111213869
N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 123864348
N-[2-[(3,4-dimethoxyphenyl)methylamino]ethyl]thiophene-2-carboxamide
CID 3156849
butyl 3-(thiophene-2-carbonylamino)propanoate
CID 91704806
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(thiophene-2-carbonyl)benzamide
CID 9404427
3-(thiophene-2-carbonylamino)propyl acetate
CID 84560045
3-(thiophene-2-carbonylamino)propyl 4-(2,4-dichlorophenoxy)butanoate
CID 84559146
N-[3-[[amino-(3,4-dimethoxyanilino)methylidene]amino]propyl]thiophene-2-carboxamide
CID 111094399
methyl 4-(thiophene-2-carbonylamino)butanoate
CID 60645503
N-[[4-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55753151
N-[4-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-4-oxobutyl]thiophene-2-carboxamide
CID 27865916
N-[2-[[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoyl]amino]ethyl]thiophene-2-carboxamide
CID 121062906

Frequently Asked Questions

What is the IUPAC name of 3-(thiophene-2-carbonylamino)propyl 3-(3,4-dimethoxyphenyl)propanoate?
The IUPAC name of 3-(thiophene-2-carbonylamino)propyl 3-(3,4-dimethoxyphenyl)propanoate (CID 84559141) is 3-(thiophene-2-carbonylamino)propyl 3-(3,4-dimethoxyphenyl)propanoate.
What is the SMILES notation for 3-(thiophene-2-carbonylamino)propyl 3-(3,4-dimethoxyphenyl)propanoate?
The canonical SMILES for 3-(thiophene-2-carbonylamino)propyl 3-(3,4-dimethoxyphenyl)propanoate is COc1ccc(CCC(=O)OCCCNC(=O)c2cccs2)cc1OC.
What is the InChIKey of 3-(thiophene-2-carbonylamino)propyl 3-(3,4-dimethoxyphenyl)propanoate?
The InChIKey is ZEKWXIMCGSTXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5S/c1-23-15-8-6-14(13-16(15)24-2)7-9-18(21)25-11-4-10-20-19(22)17-5-3-12-26-17/h3,5-6,8,12-13H,4,7,9-11H2,1-2H3,(H,20,22).
What are the key properties of 3-(thiophene-2-carbonylamino)propyl 3-(3,4-dimethoxyphenyl)propanoate?
3-(thiophene-2-carbonylamino)propyl 3-(3,4-dimethoxyphenyl)propanoate has a molecular weight of 377.46 g/mol, XLogP of 3.06, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiophene-2-carbonylamino)propyl 3-(3,4-dimethoxyphenyl)propanoate is sourced from PubChem (CID 84559141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).