2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-phenylacetamide

C14H15ClN2OS — CID 9294194

IUPAC2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-phenylacetamide
SMILESCN(CC(=O)Nc1ccccc1)Cc1ccc(Cl)s1
InChIInChI=1S/C14H15ClN2OS/c1-17(9-12-7-8-13(15)19-12)10-14(18)16-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3,(H,16,18)
InChIKeyKHUSXWLPMYTSJP-UHFFFAOYSA-N
MW294.81 g/mol
LogP3.47
Rot. Bonds5

About 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-phenylacetamide

2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-phenylacetamide (PubChem CID 9294194) has the molecular formula C14H15ClN2OS and a molecular weight of 294.81 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-phenylacetamide
PubChem CID9294194
Molecular FormulaC14H15ClN2OS
Molecular Weight294.81 g/mol
Exact Mass294.06
IUPAC Name2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-phenylacetamide
SMILESCN(CC(=O)Nc1ccccc1)Cc1ccc(Cl)s1
InChIInChI=1S/C14H15ClN2OS/c1-17(9-12-7-8-13(15)19-12)10-14(18)16-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3,(H,16,18)
InChIKeyKHUSXWLPMYTSJP-UHFFFAOYSA-N
XLogP3.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(3-methylphenyl)acetamide
CID 9294021
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 9294268
N-tert-butyl-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide
CID 51223592
N-(1,3-benzothiazol-2-yl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide
CID 78821067
1-[(5-chlorothiophen-2-yl)methyl-methylamino]propan-2-one
CID 62053436
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(2-methylpropyl)acetamide
CID 78793300
2-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8787145
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-cyclopentylacetamide
CID 8849744
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(dicyclopropylmethyl)acetamide
CID 34093228
2-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]amino]-N-cyclopentylbenzamide
CID 9293907
3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(2-fluorophenyl)propanamide
CID 24589254
N-(2-amino-5-fluorophenyl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide
CID 61438327

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-phenylacetamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-phenylacetamide (CID 9294194) is 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-phenylacetamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-phenylacetamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-phenylacetamide is CN(CC(=O)Nc1ccccc1)Cc1ccc(Cl)s1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-phenylacetamide?
The InChIKey is KHUSXWLPMYTSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2OS/c1-17(9-12-7-8-13(15)19-12)10-14(18)16-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3,(H,16,18).
What are the key properties of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-phenylacetamide?
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-phenylacetamide has a molecular weight of 294.81 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-phenylacetamide is sourced from PubChem (CID 9294194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).