3-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)cyclopentane-1-carboxamide

C20H26N2OS — CID 119691845

IUPAC3-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)cyclopentane-1-carboxamide
SMILESCc1ccc(CN(CCc2ccccc2)C(=O)C2CCC(N)C2)s1
InChIInChI=1S/C20H26N2OS/c1-15-7-10-19(24-15)14-22(12-11-16-5-3-2-4-6-16)20(23)17-8-9-18(21)13-17/h2-7,10,17-18H,8-9,11-14,21H2,1H3
InChIKeyBZDZDAGVUWOXCF-UHFFFAOYSA-N
MW342.51 g/mol
LogP3.76
Rot. Bonds6

About 3-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)cyclopentane-1-carboxamide

3-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)cyclopentane-1-carboxamide (PubChem CID 119691845) has the molecular formula C20H26N2OS and a molecular weight of 342.51 g/mol. Its IUPAC name is 3-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)cyclopentane-1-carboxamide
PubChem CID119691845
Molecular FormulaC20H26N2OS
Molecular Weight342.51 g/mol
Exact Mass342.18
IUPAC Name3-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)cyclopentane-1-carboxamide
SMILESCc1ccc(CN(CCc2ccccc2)C(=O)C2CCC(N)C2)s1
InChIInChI=1S/C20H26N2OS/c1-15-7-10-19(24-15)14-22(12-11-16-5-3-2-4-6-16)20(23)17-8-9-18(21)13-17/h2-7,10,17-18H,8-9,11-14,21H2,1H3
InChIKeyBZDZDAGVUWOXCF-UHFFFAOYSA-N
XLogP3.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-benzyl-N-(2-phenylethyl)cyclopentane-1-carboxamide
CID 119675945
3-amino-N-(2-phenylethyl)-N-prop-2-enylcyclopentane-1-carboxamide
CID 119033370
cis-(1R,3S)-3-amino-N-(2-phenylethyl)-N-prop-2-enylcyclopentane-1-carboxamide
CID 100645426
1-(4-chlorobenzoyl)-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 46823952
3-amino-N-methyl-N-(4-phenylbutyl)cyclopentane-1-carboxamide
CID 66009595
N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119691858
4-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)pentanamide;hydrochloride
CID 120559324
N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropylcyclopropanecarboxamide
CID 1059817
3-amino-N-benzyl-N-(4-methoxybutyl)cyclopentane-1-carboxamide
CID 119752506
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclopentane-1-carboxamide
CID 66008961
3-amino-N-(2-amino-2-oxoethyl)-N-benzylcyclopentane-1-carboxamide
CID 119783021
(2R)-2-(carbamoylamino)-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)propanamide
CID 94797374

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)cyclopentane-1-carboxamide (CID 119691845) is 3-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)cyclopentane-1-carboxamide is Cc1ccc(CN(CCc2ccccc2)C(=O)C2CCC(N)C2)s1.
What is the InChIKey of 3-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)cyclopentane-1-carboxamide?
The InChIKey is BZDZDAGVUWOXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2OS/c1-15-7-10-19(24-15)14-22(12-11-16-5-3-2-4-6-16)20(23)17-8-9-18(21)13-17/h2-7,10,17-18H,8-9,11-14,21H2,1H3.
What are the key properties of 3-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)cyclopentane-1-carboxamide?
3-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)cyclopentane-1-carboxamide has a molecular weight of 342.51 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 119691845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).