3-amino-N-[(4-chlorophenyl)-thiophen-3-ylmethyl]cyclopentane-1-carboxamide;hydrochloride

C17H20Cl2N2OS — CID 119746414

IUPAC3-amino-N-[(4-chlorophenyl)-thiophen-3-ylmethyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1CCC(C(=O)NC(c2ccc(Cl)cc2)c2ccsc2)C1
InChIInChI=1S/C17H19ClN2OS.ClH/c18-14-4-1-11(2-5-14)16(13-7-8-22-10-13)20-17(21)12-3-6-15(19)9-12;/h1-2,4-5,7-8,10,12,15-16H,3,6,9,19H2,(H,20,21);1H
InChIKeyDRYDAUZMLOTEBK-UHFFFAOYSA-N
MW371.33 g/mol
LogP4.16
Rot. Bonds4

About 3-amino-N-[(4-chlorophenyl)-thiophen-3-ylmethyl]cyclopentane-1-carboxamide;hydrochloride

3-amino-N-[(4-chlorophenyl)-thiophen-3-ylmethyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119746414) has the molecular formula C17H20Cl2N2OS and a molecular weight of 371.33 g/mol. Its IUPAC name is 3-amino-N-[(4-chlorophenyl)-thiophen-3-ylmethyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[(4-chlorophenyl)-thiophen-3-ylmethyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119746414
Molecular FormulaC17H20Cl2N2OS
Molecular Weight371.33 g/mol
Exact Mass370.07
IUPAC Name3-amino-N-[(4-chlorophenyl)-thiophen-3-ylmethyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1CCC(C(=O)NC(c2ccc(Cl)cc2)c2ccsc2)C1
InChIInChI=1S/C17H19ClN2OS.ClH/c18-14-4-1-11(2-5-14)16(13-7-8-22-10-13)20-17(21)12-3-6-15(19)9-12;/h1-2,4-5,7-8,10,12,15-16H,3,6,9,19H2,(H,20,21);1H
InChIKeyDRYDAUZMLOTEBK-UHFFFAOYSA-N
XLogP4.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.33
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(4-chlorophenyl)-thiophen-3-ylmethyl]cyclopentane-1-carboxamide
CID 119746415
3-amino-N-[bis(4-chlorophenyl)methyl]cyclopentane-1-carboxamide
CID 119738121
(2R)-N-[(S)-(4-chlorophenyl)-thiophen-3-ylmethyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 124619301
3-amino-N-thiophen-3-ylcyclopentane-1-carboxamide
CID 66350210
3-amino-N-[(2-chlorophenyl)-(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 119803306
3-amino-N-(4-chlorophenyl)cyclopentane-1-carboxamide
CID 66031270
3-amino-N-[(2-chlorophenyl)-(2,5-difluorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119806095
3-amino-N-[(3-chlorophenyl)-phenylmethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119736446
N-[(S)-(4-chlorophenyl)-thiophen-3-ylmethyl]-2-[(2R)-oxolan-2-yl]acetamide
CID 94663590
2-acetamido-N-[(4-chlorophenyl)-thiophen-3-ylmethyl]propanamide
CID 86840905
3-amino-N-[2-(4-chlorophenyl)-2-methoxyethyl]cyclopentane-1-carboxamide
CID 119803119
N-[(4-chlorophenyl)-thiophen-3-ylmethyl]-6-methylpyridine-3-carboxamide
CID 60580164

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-chlorophenyl)-thiophen-3-ylmethyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[(4-chlorophenyl)-thiophen-3-ylmethyl]cyclopentane-1-carboxamide;hydrochloride (CID 119746414) is 3-amino-N-[(4-chlorophenyl)-thiophen-3-ylmethyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[(4-chlorophenyl)-thiophen-3-ylmethyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[(4-chlorophenyl)-thiophen-3-ylmethyl]cyclopentane-1-carboxamide;hydrochloride is Cl.NC1CCC(C(=O)NC(c2ccc(Cl)cc2)c2ccsc2)C1.
What is the InChIKey of 3-amino-N-[(4-chlorophenyl)-thiophen-3-ylmethyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is DRYDAUZMLOTEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2OS.ClH/c18-14-4-1-11(2-5-14)16(13-7-8-22-10-13)20-17(21)12-3-6-15(19)9-12;/h1-2,4-5,7-8,10,12,15-16H,3,6,9,19H2,(H,20,21);1H.
What are the key properties of 3-amino-N-[(4-chlorophenyl)-thiophen-3-ylmethyl]cyclopentane-1-carboxamide;hydrochloride?
3-amino-N-[(4-chlorophenyl)-thiophen-3-ylmethyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 371.33 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-chlorophenyl)-thiophen-3-ylmethyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119746414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).