N-[2-[(3,4-dimethoxyphenyl)methylamino]ethyl]thiophene-2-carboxamide

C16H20N2O3S — CID 3156849

IUPACN-[2-[(3,4-dimethoxyphenyl)methylamino]ethyl]thiophene-2-carboxamide
SMILESCOc1ccc(CNCCNC(=O)c2cccs2)cc1OC
InChIInChI=1S/C16H20N2O3S/c1-20-13-6-5-12(10-14(13)21-2)11-17-7-8-18-16(19)15-4-3-9-22-15/h3-6,9-10,17H,7-8,11H2,1-2H3,(H,18,19)
InChIKeyDFTFUAZRCCGEOV-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.28
Rot. Bonds8

About N-[2-[(3,4-dimethoxyphenyl)methylamino]ethyl]thiophene-2-carboxamide

N-[2-[(3,4-dimethoxyphenyl)methylamino]ethyl]thiophene-2-carboxamide (PubChem CID 3156849) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is N-[2-[(3,4-dimethoxyphenyl)methylamino]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(3,4-dimethoxyphenyl)methylamino]ethyl]thiophene-2-carboxamide
PubChem CID3156849
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC NameN-[2-[(3,4-dimethoxyphenyl)methylamino]ethyl]thiophene-2-carboxamide
SMILESCOc1ccc(CNCCNC(=O)c2cccs2)cc1OC
InChIInChI=1S/C16H20N2O3S/c1-20-13-6-5-12(10-14(13)21-2)11-17-7-8-18-16(19)15-4-3-9-22-15/h3-6,9-10,17H,7-8,11H2,1-2H3,(H,18,19)
InChIKeyDFTFUAZRCCGEOV-UHFFFAOYSA-N
XLogP2.28
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55753151
N-[2-[[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoyl]amino]ethyl]thiophene-2-carboxamide
CID 121062906
N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 123864348
3-[(3,4-dimethoxyphenyl)methylamino]-N-(thiophen-2-ylmethyl)propanamide
CID 50969709
N-[2-(benzylamino)ethyl]thiophene-2-carboxamide
CID 47148638
3-(thiophene-2-carbonylamino)propyl 3-(3,4-dimethoxyphenyl)propanoate
CID 84559141
N-[4-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-4-oxobutyl]thiophene-2-carboxamide
CID 27865916
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(thiophene-2-carbonyl)benzamide
CID 9404427
N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
CID 51999279
N-[3-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 55930691
3,4-dimethoxy-N-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]ethyl]benzamide
CID 4309421
N-[3-[[[2-(3,4-dimethoxyphenyl)ethylamino]-(ethylamino)methylidene]amino]propyl]thiophene-2-carboxamide
CID 111213869

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,4-dimethoxyphenyl)methylamino]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[(3,4-dimethoxyphenyl)methylamino]ethyl]thiophene-2-carboxamide (CID 3156849) is N-[2-[(3,4-dimethoxyphenyl)methylamino]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(3,4-dimethoxyphenyl)methylamino]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[(3,4-dimethoxyphenyl)methylamino]ethyl]thiophene-2-carboxamide is COc1ccc(CNCCNC(=O)c2cccs2)cc1OC.
What is the InChIKey of N-[2-[(3,4-dimethoxyphenyl)methylamino]ethyl]thiophene-2-carboxamide?
The InChIKey is DFTFUAZRCCGEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-20-13-6-5-12(10-14(13)21-2)11-17-7-8-18-16(19)15-4-3-9-22-15/h3-6,9-10,17H,7-8,11H2,1-2H3,(H,18,19).
What are the key properties of N-[2-[(3,4-dimethoxyphenyl)methylamino]ethyl]thiophene-2-carboxamide?
N-[2-[(3,4-dimethoxyphenyl)methylamino]ethyl]thiophene-2-carboxamide has a molecular weight of 320.41 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,4-dimethoxyphenyl)methylamino]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 3156849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).