3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxybenzamide

C14H15ClN2O2S — CID 106033320

IUPAC3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxybenzamide
SMILESCOc1c(N)cccc1C(=O)NCCc1ccc(Cl)s1
InChIInChI=1S/C14H15ClN2O2S/c1-19-13-10(3-2-4-11(13)16)14(18)17-8-7-9-5-6-12(15)20-9/h2-6H,7-8,16H2,1H3,(H,17,18)
InChIKeyCPZSCYPITFOBSA-UHFFFAOYSA-N
MW310.81 g/mol
LogP2.96
Rot. Bonds5

About 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxybenzamide

3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxybenzamide (PubChem CID 106033320) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxybenzamide.

Molecular Properties

Compound Name3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxybenzamide
PubChem CID106033320
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Name3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxybenzamide
SMILESCOc1c(N)cccc1C(=O)NCCc1ccc(Cl)s1
InChIInChI=1S/C14H15ClN2O2S/c1-19-13-10(3-2-4-11(13)16)14(18)17-8-7-9-5-6-12(15)20-9/h2-6H,7-8,16H2,1H3,(H,17,18)
InChIKeyCPZSCYPITFOBSA-UHFFFAOYSA-N
XLogP2.96
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)benzamide
CID 106049286
3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-2-ethoxybenzamide
CID 106033436
5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,4-dimethylbenzamide
CID 106033391
3-amino-N-(4-hydroxybutyl)-2-methoxybenzamide
CID 106840121
3-amino-N-(5-hydroxypentyl)-2-methoxybenzamide
CID 107316263
5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,4-difluorobenzamide
CID 106033258
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-hydroxy-3-nitrobenzamide
CID 103800075
2-(5-chlorothiophen-2-yl)ethylcarbamic acid
CID 115171101
N-[2-(5-chlorothiophen-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 110787979
tert-butyl N-[3-[(3-amino-2-methoxybenzoyl)amino]propyl]carbamate
CID 104932608
3-amino-N-[(2S)-2-hydroxypropyl]-2-methoxybenzamide
CID 107211143
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-hydroxy-2-methylbenzamide
CID 103863673

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxybenzamide?
The IUPAC name of 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxybenzamide (CID 106033320) is 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxybenzamide.
What is the SMILES notation for 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxybenzamide?
The canonical SMILES for 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxybenzamide is COc1c(N)cccc1C(=O)NCCc1ccc(Cl)s1.
What is the InChIKey of 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxybenzamide?
The InChIKey is CPZSCYPITFOBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c1-19-13-10(3-2-4-11(13)16)14(18)17-8-7-9-5-6-12(15)20-9/h2-6H,7-8,16H2,1H3,(H,17,18).
What are the key properties of 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxybenzamide?
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxybenzamide has a molecular weight of 310.81 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxybenzamide is sourced from PubChem (CID 106033320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).