2-(cyclopropylmethylamino)-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]acetamide

C18H22N2O2S — CID 119815758

IUPAC2-(cyclopropylmethylamino)-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]acetamide
SMILESCOc1ccc(-c2ccc(CNC(=O)CNCC3CC3)s2)cc1
InChIInChI=1S/C18H22N2O2S/c1-22-15-6-4-14(5-7-15)17-9-8-16(23-17)11-20-18(21)12-19-10-13-2-3-13/h4-9,13,19H,2-3,10-12H2,1H3,(H,20,21)
InChIKeyHBARZDYXTTYWCL-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.04
Rot. Bonds8

About 2-(cyclopropylmethylamino)-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]acetamide

2-(cyclopropylmethylamino)-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]acetamide (PubChem CID 119815758) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]acetamide
PubChem CID119815758
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name2-(cyclopropylmethylamino)-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]acetamide
SMILESCOc1ccc(-c2ccc(CNC(=O)CNCC3CC3)s2)cc1
InChIInChI=1S/C18H22N2O2S/c1-22-15-6-4-14(5-7-15)17-9-8-16(23-17)11-20-18(21)12-19-10-13-2-3-13/h4-9,13,19H,2-3,10-12H2,1H3,(H,20,21)
InChIKeyHBARZDYXTTYWCL-UHFFFAOYSA-N
XLogP3.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-3-[5-(4-methoxyphenyl)thiophen-2-yl]propanamide
CID 59152235
cis-(1R,2S)-2-[[5-(4-methoxyphenyl)thiophen-2-yl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 125118624
3-amino-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]cyclopentane-1-carboxamide
CID 119815744
2-(cyclopropylmethylamino)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]acetamide;hydrochloride
CID 119753123
N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119940336
(2S,5R)-5-(aminomethyl)-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]oxolane-2-carboxamide;hydrochloride
CID 120796035
2-(cyclopropylmethylamino)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]acetamide
CID 119698669
N-tert-butyl-2-[[N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111967817
2-(cyclopropylmethylamino)-N-[(3-methoxyphenyl)methyl]acetamide;hydrochloride
CID 119678219
(2S)-2-amino-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-3,3-dimethylbutanamide
CID 119815756
2-(cyclopropylmethylamino)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]acetamide;hydrochloride
CID 119698668
2-amino-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]pentanamide
CID 119342011

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]acetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]acetamide (CID 119815758) is 2-(cyclopropylmethylamino)-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]acetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]acetamide is COc1ccc(-c2ccc(CNC(=O)CNCC3CC3)s2)cc1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]acetamide?
The InChIKey is HBARZDYXTTYWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-22-15-6-4-14(5-7-15)17-9-8-16(23-17)11-20-18(21)12-19-10-13-2-3-13/h4-9,13,19H,2-3,10-12H2,1H3,(H,20,21).
What are the key properties of 2-(cyclopropylmethylamino)-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]acetamide?
2-(cyclopropylmethylamino)-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]acetamide has a molecular weight of 330.45 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]acetamide is sourced from PubChem (CID 119815758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).