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

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Related Compounds

2-[[(1S)-1-cyclopropylethyl]-[(4-methoxyphenyl)methyl]amino]acetic acid
CID 100636955
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[1-cyclopropylethyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 78825992
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 40820049
N-[cyclopentyl(thiophen-2-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 42960691
2-(4-methoxyphenyl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide
CID 78791455
2-[1-cyclopropylethyl-[(4-methoxyphenyl)methyl]amino]-N-(2-methyl-4-nitrophenyl)acetamide
CID 78825993
2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 26515915
3-bromo-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 55762149
2-[cyclopropyl(2-hydroxyethyl)amino]-N-(1-thiophen-2-ylethyl)acetamide
CID 60967061
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-[(1,1-dioxothiolan-3-yl)-[(4-methoxyphenyl)methyl]amino]acetamide
CID 60504834
1-[(4-methoxyphenyl)methyl]-3-[(1S)-1-thiophen-2-ylethyl]thiourea
CID 8725605
N-(1-thiophen-2-ylethyl)-2-(2,3,4-trimethoxyphenyl)acetamide
CID 18090212

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).