N-[2-[(4-chloro-2-methoxy-5-methylanilino)methyl]thiophen-3-yl]acetamide

C15H17ClN2O2S — CID 66387889

IUPACN-[2-[(4-chloro-2-methoxy-5-methylanilino)methyl]thiophen-3-yl]acetamide
SMILESCOc1cc(Cl)c(C)cc1NCc1sccc1NC(C)=O
InChIInChI=1S/C15H17ClN2O2S/c1-9-6-13(14(20-3)7-11(9)16)17-8-15-12(4-5-21-15)18-10(2)19/h4-7,17H,8H2,1-3H3,(H,18,19)
InChIKeyNNOIXGOMGQYUHG-UHFFFAOYSA-N
MW324.83 g/mol
LogP4.29
Rot. Bonds5

About N-[2-[(4-chloro-2-methoxy-5-methylanilino)methyl]thiophen-3-yl]acetamide

N-[2-[(4-chloro-2-methoxy-5-methylanilino)methyl]thiophen-3-yl]acetamide (PubChem CID 66387889) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is N-[2-[(4-chloro-2-methoxy-5-methylanilino)methyl]thiophen-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[(4-chloro-2-methoxy-5-methylanilino)methyl]thiophen-3-yl]acetamide
PubChem CID66387889
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC NameN-[2-[(4-chloro-2-methoxy-5-methylanilino)methyl]thiophen-3-yl]acetamide
SMILESCOc1cc(Cl)c(C)cc1NCc1sccc1NC(C)=O
InChIInChI=1S/C15H17ClN2O2S/c1-9-6-13(14(20-3)7-11(9)16)17-8-15-12(4-5-21-15)18-10(2)19/h4-7,17H,8H2,1-3H3,(H,18,19)
InChIKeyNNOIXGOMGQYUHG-UHFFFAOYSA-N
XLogP4.29
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chloro-2-methoxy-5-methylanilino)methyl]thiophen-3-amine
CID 66387695
3-[(4-chloro-2-methoxy-5-methylanilino)methyl]benzamide
CID 28529683
N-[2-[[3-chloro-2-(dimethylamino)anilino]methyl]thiophen-3-yl]acetamide
CID 66386165
3-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3-sulfanylidenepropanamide
CID 28942379
methyl 4-(4-chloro-2-methoxy-5-methylanilino)butanoate
CID 43377816
N-(4-chloro-2-methoxy-5-methylphenyl)thiophene-2-carboxamide
CID 731690
7-[(4-chloro-2-methoxy-5-methylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 18096639
2-(5-chloro-2-methoxyanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 26417292
N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxopentanamide
CID 60637672
3-(4-chloro-2-methoxy-5-methylanilino)-2,2-dimethylpropanoic acid
CID 79628845
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-phenylpropanediamide
CID 108952893
2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methylbutan-2-yl)acetamide
CID 47123138

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chloro-2-methoxy-5-methylanilino)methyl]thiophen-3-yl]acetamide?
The IUPAC name of N-[2-[(4-chloro-2-methoxy-5-methylanilino)methyl]thiophen-3-yl]acetamide (CID 66387889) is N-[2-[(4-chloro-2-methoxy-5-methylanilino)methyl]thiophen-3-yl]acetamide.
What is the SMILES notation for N-[2-[(4-chloro-2-methoxy-5-methylanilino)methyl]thiophen-3-yl]acetamide?
The canonical SMILES for N-[2-[(4-chloro-2-methoxy-5-methylanilino)methyl]thiophen-3-yl]acetamide is COc1cc(Cl)c(C)cc1NCc1sccc1NC(C)=O.
What is the InChIKey of N-[2-[(4-chloro-2-methoxy-5-methylanilino)methyl]thiophen-3-yl]acetamide?
The InChIKey is NNOIXGOMGQYUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-9-6-13(14(20-3)7-11(9)16)17-8-15-12(4-5-21-15)18-10(2)19/h4-7,17H,8H2,1-3H3,(H,18,19).
What are the key properties of N-[2-[(4-chloro-2-methoxy-5-methylanilino)methyl]thiophen-3-yl]acetamide?
N-[2-[(4-chloro-2-methoxy-5-methylanilino)methyl]thiophen-3-yl]acetamide has a molecular weight of 324.83 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chloro-2-methoxy-5-methylanilino)methyl]thiophen-3-yl]acetamide is sourced from PubChem (CID 66387889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).