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

C18H23N3O4S — CID 8586967

IUPAC2-[[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetyl]amino]thiophene-3-carboxamide
SMILESCOc1ccc(CCN(C)CC(=O)Nc2sccc2C(N)=O)cc1OC
InChIInChI=1S/C18H23N3O4S/c1-21(8-6-12-4-5-14(24-2)15(10-12)25-3)11-16(22)20-18-13(17(19)23)7-9-26-18/h4-5,7,9-10H,6,8,11H2,1-3H3,(H2,19,23)(H,20,22)
InChIKeyBYGUNZQAURJUKF-UHFFFAOYSA-N
MW377.47 g/mol
LogP1.98
Rot. Bonds9

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

2-[[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetyl]amino]thiophene-3-carboxamide (PubChem CID 8586967) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is 2-[[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetyl]amino]thiophene-3-carboxamide
PubChem CID8586967
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Name2-[[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetyl]amino]thiophene-3-carboxamide
SMILESCOc1ccc(CCN(C)CC(=O)Nc2sccc2C(N)=O)cc1OC
InChIInChI=1S/C18H23N3O4S/c1-21(8-6-12-4-5-14(24-2)15(10-12)25-3)11-16(22)20-18-13(17(19)23)7-9-26-18/h4-5,7,9-10H,6,8,11H2,1-3H3,(H2,19,23)(H,20,22)
InChIKeyBYGUNZQAURJUKF-UHFFFAOYSA-N
XLogP1.98
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]thiophene-3-carboxamide
CID 2091135
N-(2-acetylphenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetamide
CID 8586985
2-[[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]amino]thiophene-3-carboxamide
CID 8794919
2-[[2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetyl]amino]thiophene-3-carboxamide
CID 9028907
2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(ethylcarbamoyl)acetamide
CID 8583895
2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 8584003
2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(propan-2-ylcarbamoyl)acetamide
CID 8583865
methyl 4-[[[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetyl]amino]methyl]benzoate
CID 8584099
2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 8584049
N-(cyclohexylcarbamoyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetamide
CID 8583881
2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 8682147
2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 8583939

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetyl]amino]thiophene-3-carboxamide (CID 8586967) is 2-[[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetyl]amino]thiophene-3-carboxamide is COc1ccc(CCN(C)CC(=O)Nc2sccc2C(N)=O)cc1OC.
What is the InChIKey of 2-[[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetyl]amino]thiophene-3-carboxamide?
The InChIKey is BYGUNZQAURJUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-21(8-6-12-4-5-14(24-2)15(10-12)25-3)11-16(22)20-18-13(17(19)23)7-9-26-18/h4-5,7,9-10H,6,8,11H2,1-3H3,(H2,19,23)(H,20,22).
What are the key properties of 2-[[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetyl]amino]thiophene-3-carboxamide?
2-[[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetyl]amino]thiophene-3-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 1.98, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 8586967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).