3-amino-2-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzamide

C14H15ClN2OS — CID 106006505

IUPAC3-amino-2-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzamide
SMILESCCc1ccc(CNC(=O)c2cccc(N)c2Cl)s1
InChIInChI=1S/C14H15ClN2OS/c1-2-9-6-7-10(19-9)8-17-14(18)11-4-3-5-12(16)13(11)15/h3-7H,2,8,16H2,1H3,(H,17,18)
InChIKeyYEGPEDSJAOHXMI-UHFFFAOYSA-N
MW294.81 g/mol
LogP3.48
Rot. Bonds4

About 3-amino-2-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzamide

3-amino-2-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzamide (PubChem CID 106006505) has the molecular formula C14H15ClN2OS and a molecular weight of 294.81 g/mol. Its IUPAC name is 3-amino-2-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-amino-2-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzamide
PubChem CID106006505
Molecular FormulaC14H15ClN2OS
Molecular Weight294.81 g/mol
Exact Mass294.06
IUPAC Name3-amino-2-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzamide
SMILESCCc1ccc(CNC(=O)c2cccc(N)c2Cl)s1
InChIInChI=1S/C14H15ClN2OS/c1-2-9-6-7-10(19-9)8-17-14(18)11-4-3-5-12(16)13(11)15/h3-7H,2,8,16H2,1H3,(H,17,18)
InChIKeyYEGPEDSJAOHXMI-UHFFFAOYSA-N
XLogP3.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-fluorobenzamide
CID 106544261
2-(2-aminoethyl)-N-[(5-ethylthiophen-2-yl)methyl]benzamide
CID 106011853
2-amino-3-chloro-N-[(5-chlorothiophen-2-yl)methyl]benzamide
CID 115540742
N-[(5-ethylthiophen-2-yl)methyl]-2,6-dihydroxybenzamide
CID 103749033
3-amino-2-chloro-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 112574891
3-amino-2-chloro-N-[(3-methylphenyl)methyl]benzamide
CID 112575105
2-bromo-N-[(5-ethylthiophen-2-yl)methyl]pyridine-3-carboxamide
CID 113255164
N-[(5-ethylthiophen-2-yl)methyl]-2-methyl-3-nitrobenzamide
CID 46466364
N-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydroxybenzamide
CID 114344423
3-amino-2-chloro-N-[(4-fluoro-3,5-dimethylphenyl)methyl]benzamide
CID 115930610
3-amino-2-chloro-N-[(1-ethylcyclobutyl)methyl]benzamide
CID 114107092
3-amino-N-[(5-methylthiophen-2-yl)methyl]-2-nitrobenzamide
CID 115548618

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzamide?
The IUPAC name of 3-amino-2-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzamide (CID 106006505) is 3-amino-2-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzamide.
What is the SMILES notation for 3-amino-2-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzamide?
The canonical SMILES for 3-amino-2-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzamide is CCc1ccc(CNC(=O)c2cccc(N)c2Cl)s1.
What is the InChIKey of 3-amino-2-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzamide?
The InChIKey is YEGPEDSJAOHXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2OS/c1-2-9-6-7-10(19-9)8-17-14(18)11-4-3-5-12(16)13(11)15/h3-7H,2,8,16H2,1H3,(H,17,18).
What are the key properties of 3-amino-2-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzamide?
3-amino-2-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzamide has a molecular weight of 294.81 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 106006505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).