N-[2-[(2-chloro-6-methylanilino)methyl]thiophen-3-yl]acetamide

C14H15ClN2OS — CID 66384810

IUPACN-[2-[(2-chloro-6-methylanilino)methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNc1c(C)cccc1Cl
InChIInChI=1S/C14H15ClN2OS/c1-9-4-3-5-11(15)14(9)16-8-13-12(6-7-19-13)17-10(2)18/h3-7,16H,8H2,1-2H3,(H,17,18)
InChIKeyIOJYKIYZAUYERF-UHFFFAOYSA-N
MW294.81 g/mol
LogP4.28
Rot. Bonds4

About N-[2-[(2-chloro-6-methylanilino)methyl]thiophen-3-yl]acetamide

N-[2-[(2-chloro-6-methylanilino)methyl]thiophen-3-yl]acetamide (PubChem CID 66384810) has the molecular formula C14H15ClN2OS and a molecular weight of 294.81 g/mol. Its IUPAC name is N-[2-[(2-chloro-6-methylanilino)methyl]thiophen-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[(2-chloro-6-methylanilino)methyl]thiophen-3-yl]acetamide
PubChem CID66384810
Molecular FormulaC14H15ClN2OS
Molecular Weight294.81 g/mol
Exact Mass294.06
IUPAC NameN-[2-[(2-chloro-6-methylanilino)methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNc1c(C)cccc1Cl
InChIInChI=1S/C14H15ClN2OS/c1-9-4-3-5-11(15)14(9)16-8-13-12(6-7-19-13)17-10(2)18/h3-7,16H,8H2,1-2H3,(H,17,18)
InChIKeyIOJYKIYZAUYERF-UHFFFAOYSA-N
XLogP4.28
TPSA41.13 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 ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[3-chloro-2-(dimethylamino)anilino]methyl]thiophen-3-yl]acetamide
CID 66386165
N-[2-[(4-chloro-2-methoxy-5-methylanilino)methyl]thiophen-3-yl]acetamide
CID 66387889
2-[3-(2-chloro-6-methylanilino)thiophen-2-yl]acetic acid
CID 23457167
2,6-dimethyl-N-[(3-methylthiophen-2-yl)methyl]aniline
CID 115749452
N-[2-[(2,4,6-tribromoanilino)methyl]thiophen-3-yl]acetamide
CID 66386124
N-[2-[(thiophen-3-ylamino)methyl]thiophen-3-yl]acetamide
CID 66385011
3-[(3-acetamidothiophen-2-yl)methylamino]-4-chlorobenzamide
CID 66387930
2,3-dichloro-N-[(3-methylthiophen-2-yl)methyl]aniline
CID 29033859
N-[2-[(2-methyl-5-nitroanilino)methyl]thiophen-3-yl]acetamide
CID 66385553
N-[2-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]thiophen-3-yl]acetamide
CID 106186084
N-[2-[[(2,5-dimethylpyrrol-1-yl)amino]methyl]thiophen-3-yl]acetamide
CID 79101536
N-[2-[(3-propan-2-ylanilino)methyl]thiophen-3-yl]acetamide
CID 66386116

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chloro-6-methylanilino)methyl]thiophen-3-yl]acetamide?
The IUPAC name of N-[2-[(2-chloro-6-methylanilino)methyl]thiophen-3-yl]acetamide (CID 66384810) is N-[2-[(2-chloro-6-methylanilino)methyl]thiophen-3-yl]acetamide.
What is the SMILES notation for N-[2-[(2-chloro-6-methylanilino)methyl]thiophen-3-yl]acetamide?
The canonical SMILES for N-[2-[(2-chloro-6-methylanilino)methyl]thiophen-3-yl]acetamide is CC(=O)Nc1ccsc1CNc1c(C)cccc1Cl.
What is the InChIKey of N-[2-[(2-chloro-6-methylanilino)methyl]thiophen-3-yl]acetamide?
The InChIKey is IOJYKIYZAUYERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2OS/c1-9-4-3-5-11(15)14(9)16-8-13-12(6-7-19-13)17-10(2)18/h3-7,16H,8H2,1-2H3,(H,17,18).
What are the key properties of N-[2-[(2-chloro-6-methylanilino)methyl]thiophen-3-yl]acetamide?
N-[2-[(2-chloro-6-methylanilino)methyl]thiophen-3-yl]acetamide has a molecular weight of 294.81 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chloro-6-methylanilino)methyl]thiophen-3-yl]acetamide is sourced from PubChem (CID 66384810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).