2-[[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]amino]thiophene-3-carboxamide

C16H19N3O3S — CID 8794919

IUPAC2-[[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]amino]thiophene-3-carboxamide
SMILESCOc1cccc(CN(C)CC(=O)Nc2sccc2C(N)=O)c1
InChIInChI=1S/C16H19N3O3S/c1-19(9-11-4-3-5-12(8-11)22-2)10-14(20)18-16-13(15(17)21)6-7-23-16/h3-8H,9-10H2,1-2H3,(H2,17,21)(H,18,20)
InChIKeyWUGGJDRKTIAJKI-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.93
Rot. Bonds7

About 2-[[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]amino]thiophene-3-carboxamide

2-[[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]amino]thiophene-3-carboxamide (PubChem CID 8794919) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-[[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]amino]thiophene-3-carboxamide
PubChem CID8794919
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name2-[[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]amino]thiophene-3-carboxamide
SMILESCOc1cccc(CN(C)CC(=O)Nc2sccc2C(N)=O)c1
InChIInChI=1S/C16H19N3O3S/c1-19(9-11-4-3-5-12(8-11)22-2)10-14(20)18-16-13(15(17)21)6-7-23-16/h3-8H,9-10H2,1-2H3,(H2,17,21)(H,18,20)
InChIKeyWUGGJDRKTIAJKI-UHFFFAOYSA-N
XLogP1.93
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 2656678
2-[[2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetyl]amino]thiophene-3-carboxamide
CID 9028907
2-[[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetyl]amino]thiophene-3-carboxamide
CID 8586967
2-[(3-methoxyphenyl)methyl-methylamino]-N-(2-methylphenyl)acetamide
CID 8794631
N-(3,5-dichlorophenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 2698222
2-[(3-methoxyphenyl)methyl-methylamino]-N-(4-phenylphenyl)acetamide
CID 8794801
2-[[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]benzamide
CID 18135121
N-(4-ethoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 8794745
2-[[2-[(5-bromothiophen-2-yl)methyl-methylamino]acetyl]amino]thiophene-3-carboxamide
CID 9299662
2-[(3-fluorophenyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8909173
N-(1-adamantyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 8794614
N-(2-methoxy-5-methylphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 8002693

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]amino]thiophene-3-carboxamide (CID 8794919) is 2-[[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]amino]thiophene-3-carboxamide is COc1cccc(CN(C)CC(=O)Nc2sccc2C(N)=O)c1.
What is the InChIKey of 2-[[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]amino]thiophene-3-carboxamide?
The InChIKey is WUGGJDRKTIAJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-19(9-11-4-3-5-12(8-11)22-2)10-14(20)18-16-13(15(17)21)6-7-23-16/h3-8H,9-10H2,1-2H3,(H2,17,21)(H,18,20).
What are the key properties of 2-[[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]amino]thiophene-3-carboxamide?
2-[[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]amino]thiophene-3-carboxamide has a molecular weight of 333.41 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 8794919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).