3-amino-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]cyclopentane-1-carboxamide

C18H22N2O2S — CID 119815744

IUPAC3-amino-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]cyclopentane-1-carboxamide
SMILESCOc1ccc(-c2ccc(CNC(=O)C3CCC(N)C3)s2)cc1
InChIInChI=1S/C18H22N2O2S/c1-22-15-6-3-12(4-7-15)17-9-8-16(23-17)11-20-18(21)13-2-5-14(19)10-13/h3-4,6-9,13-14H,2,5,10-11,19H2,1H3,(H,20,21)
InChIKeyUXQVOCDTQGDTGM-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.17
Rot. Bonds5

About 3-amino-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]cyclopentane-1-carboxamide

3-amino-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]cyclopentane-1-carboxamide (PubChem CID 119815744) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 3-amino-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]cyclopentane-1-carboxamide
PubChem CID119815744
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name3-amino-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]cyclopentane-1-carboxamide
SMILESCOc1ccc(-c2ccc(CNC(=O)C3CCC(N)C3)s2)cc1
InChIInChI=1S/C18H22N2O2S/c1-22-15-6-3-12(4-7-15)17-9-8-16(23-17)11-20-18(21)13-2-5-14(19)10-13/h3-4,6-9,13-14H,2,5,10-11,19H2,1H3,(H,20,21)
InChIKeyUXQVOCDTQGDTGM-UHFFFAOYSA-N
XLogP3.17
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[[4-(4-methoxyphenyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 119805976
cis-(1R,2S)-2-[[5-(4-methoxyphenyl)thiophen-2-yl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 125118624
2-(cyclopropylmethylamino)-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]acetamide
CID 119815758
(2S,5R)-5-(aminomethyl)-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]oxolane-2-carboxamide;hydrochloride
CID 120796035
cis-(1R,3S)-3-amino-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]cyclopentane-1-carboxamide
CID 133136628
3-amino-N-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 66030664
3-amino-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 115161488
3-amino-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 66033053
N-(cyclopropylmethyl)-3-[5-(4-methoxyphenyl)thiophen-2-yl]propanamide
CID 59152235
(2S)-2-amino-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119815755
N-[[5-[5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide
CID 53126180
3-amino-N-[(5-chlorothiophen-2-yl)methyl]cyclobutane-1-carboxamide
CID 115161504

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]cyclopentane-1-carboxamide (CID 119815744) is 3-amino-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]cyclopentane-1-carboxamide is COc1ccc(-c2ccc(CNC(=O)C3CCC(N)C3)s2)cc1.
What is the InChIKey of 3-amino-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]cyclopentane-1-carboxamide?
The InChIKey is UXQVOCDTQGDTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-22-15-6-3-12(4-7-15)17-9-8-16(23-17)11-20-18(21)13-2-5-14(19)10-13/h3-4,6-9,13-14H,2,5,10-11,19H2,1H3,(H,20,21).
What are the key properties of 3-amino-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]cyclopentane-1-carboxamide?
3-amino-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]cyclopentane-1-carboxamide has a molecular weight of 330.45 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119815744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).