2-[1-cyclopropylethyl-[(4-methoxyphenyl)methyl]amino]-N-(1-thiophen-2-ylethyl)acetamide

C21H28N2O2S — CID 78826008

IUPAC2-[1-cyclopropylethyl-[(4-methoxyphenyl)methyl]amino]-N-(1-thiophen-2-ylethyl)acetamide
SMILESCOc1ccc(CN(CC(=O)NC(C)c2cccs2)C(C)C2CC2)cc1
InChIInChI=1S/C21H28N2O2S/c1-15(20-5-4-12-26-20)22-21(24)14-23(16(2)18-8-9-18)13-17-6-10-19(25-3)11-7-17/h4-7,10-12,15-16,18H,8-9,13-14H2,1-3H3,(H,22,24)
InChIKeyGNUXBNOTJJAPKC-UHFFFAOYSA-N
MW372.53 g/mol
LogP4.23
Rot. Bonds9

About 2-[1-cyclopropylethyl-[(4-methoxyphenyl)methyl]amino]-N-(1-thiophen-2-ylethyl)acetamide

2-[1-cyclopropylethyl-[(4-methoxyphenyl)methyl]amino]-N-(1-thiophen-2-ylethyl)acetamide (PubChem CID 78826008) has the molecular formula C21H28N2O2S and a molecular weight of 372.53 g/mol. Its IUPAC name is 2-[1-cyclopropylethyl-[(4-methoxyphenyl)methyl]amino]-N-(1-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[1-cyclopropylethyl-[(4-methoxyphenyl)methyl]amino]-N-(1-thiophen-2-ylethyl)acetamide
PubChem CID78826008
Molecular FormulaC21H28N2O2S
Molecular Weight372.53 g/mol
Exact Mass372.19
IUPAC Name2-[1-cyclopropylethyl-[(4-methoxyphenyl)methyl]amino]-N-(1-thiophen-2-ylethyl)acetamide
SMILESCOc1ccc(CN(CC(=O)NC(C)c2cccs2)C(C)C2CC2)cc1
InChIInChI=1S/C21H28N2O2S/c1-15(20-5-4-12-26-20)22-21(24)14-23(16(2)18-8-9-18)13-17-6-10-19(25-3)11-7-17/h4-7,10-12,15-16,18H,8-9,13-14H2,1-3H3,(H,22,24)
InChIKeyGNUXBNOTJJAPKC-UHFFFAOYSA-N
XLogP4.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-cyclopropylethyl-[(4-methoxyphenyl)methyl]amino]-N-(1-thiophen-2-ylethyl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclopropylethyl-[(4-methoxyphenyl)methyl]amino]-N-(1-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-[1-cyclopropylethyl-[(4-methoxyphenyl)methyl]amino]-N-(1-thiophen-2-ylethyl)acetamide (CID 78826008) is 2-[1-cyclopropylethyl-[(4-methoxyphenyl)methyl]amino]-N-(1-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-[1-cyclopropylethyl-[(4-methoxyphenyl)methyl]amino]-N-(1-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-[1-cyclopropylethyl-[(4-methoxyphenyl)methyl]amino]-N-(1-thiophen-2-ylethyl)acetamide is COc1ccc(CN(CC(=O)NC(C)c2cccs2)C(C)C2CC2)cc1.
What is the InChIKey of 2-[1-cyclopropylethyl-[(4-methoxyphenyl)methyl]amino]-N-(1-thiophen-2-ylethyl)acetamide?
The InChIKey is GNUXBNOTJJAPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2S/c1-15(20-5-4-12-26-20)22-21(24)14-23(16(2)18-8-9-18)13-17-6-10-19(25-3)11-7-17/h4-7,10-12,15-16,18H,8-9,13-14H2,1-3H3,(H,22,24).
What are the key properties of 2-[1-cyclopropylethyl-[(4-methoxyphenyl)methyl]amino]-N-(1-thiophen-2-ylethyl)acetamide?
2-[1-cyclopropylethyl-[(4-methoxyphenyl)methyl]amino]-N-(1-thiophen-2-ylethyl)acetamide has a molecular weight of 372.53 g/mol, XLogP of 4.23, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopropylethyl-[(4-methoxyphenyl)methyl]amino]-N-(1-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 78826008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).