2-[4-[(5-chlorothiophen-2-yl)methylamino]phenyl]-N-methylacetamide

C14H15ClN2OS — CID 43713887

IUPAC2-[4-[(5-chlorothiophen-2-yl)methylamino]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc(NCc2ccc(Cl)s2)cc1
InChIInChI=1S/C14H15ClN2OS/c1-16-14(18)8-10-2-4-11(5-3-10)17-9-12-6-7-13(15)19-12/h2-7,17H,8-9H2,1H3,(H,16,18)
InChIKeyUQGDSMHSZCYONE-UHFFFAOYSA-N
MW294.81 g/mol
LogP3.30
Rot. Bonds5

About 2-[4-[(5-chlorothiophen-2-yl)methylamino]phenyl]-N-methylacetamide

2-[4-[(5-chlorothiophen-2-yl)methylamino]phenyl]-N-methylacetamide (PubChem CID 43713887) has the molecular formula C14H15ClN2OS and a molecular weight of 294.81 g/mol. Its IUPAC name is 2-[4-[(5-chlorothiophen-2-yl)methylamino]phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[(5-chlorothiophen-2-yl)methylamino]phenyl]-N-methylacetamide
PubChem CID43713887
Molecular FormulaC14H15ClN2OS
Molecular Weight294.81 g/mol
Exact Mass294.06
IUPAC Name2-[4-[(5-chlorothiophen-2-yl)methylamino]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc(NCc2ccc(Cl)s2)cc1
InChIInChI=1S/C14H15ClN2OS/c1-16-14(18)8-10-2-4-11(5-3-10)17-9-12-6-7-13(15)19-12/h2-7,17H,8-9H2,1H3,(H,16,18)
InChIKeyUQGDSMHSZCYONE-UHFFFAOYSA-N
XLogP3.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(5-ethylthiophen-2-yl)methylamino]phenyl]-N-methylacetamide
CID 62347331
2-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-N-methylacetamide
CID 168583841
2-[4-[(4-bromothiophen-2-yl)methylamino]phenyl]-N-methylacetamide
CID 43714168
N-methyl-2-[4-[(4-methylphenyl)methylamino]phenyl]acetamide
CID 43713951
2-[4-[(2,4-dichlorophenyl)methylamino]phenyl]-N-methylacetamide
CID 43713979
2-[4-[(4-bromo-3-chlorophenyl)methylamino]phenyl]-N-methylacetamide
CID 102975677
2-[4-[(5-chloro-2-hydroxyphenyl)methylamino]phenyl]-N-methylacetamide
CID 43714112
2-[4-(furan-2-ylmethylamino)phenyl]-N-methylacetamide
CID 43713977
dimethyl 5-[(5-chlorothiophen-2-yl)methylamino]benzene-1,3-dicarboxylate
CID 78822309
tert-butyl N-[4-[[(5-chlorothiophen-2-yl)methylamino]methyl]phenyl]carbamate
CID 107239497
4-[(5-chlorothiophen-2-yl)methylamino]-N-(3-hydroxypropyl)benzamide
CID 111778047
4-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N-methylaniline
CID 115212752

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-chlorothiophen-2-yl)methylamino]phenyl]-N-methylacetamide?
The IUPAC name of 2-[4-[(5-chlorothiophen-2-yl)methylamino]phenyl]-N-methylacetamide (CID 43713887) is 2-[4-[(5-chlorothiophen-2-yl)methylamino]phenyl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[(5-chlorothiophen-2-yl)methylamino]phenyl]-N-methylacetamide?
The canonical SMILES for 2-[4-[(5-chlorothiophen-2-yl)methylamino]phenyl]-N-methylacetamide is CNC(=O)Cc1ccc(NCc2ccc(Cl)s2)cc1.
What is the InChIKey of 2-[4-[(5-chlorothiophen-2-yl)methylamino]phenyl]-N-methylacetamide?
The InChIKey is UQGDSMHSZCYONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2OS/c1-16-14(18)8-10-2-4-11(5-3-10)17-9-12-6-7-13(15)19-12/h2-7,17H,8-9H2,1H3,(H,16,18).
What are the key properties of 2-[4-[(5-chlorothiophen-2-yl)methylamino]phenyl]-N-methylacetamide?
2-[4-[(5-chlorothiophen-2-yl)methylamino]phenyl]-N-methylacetamide has a molecular weight of 294.81 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-chlorothiophen-2-yl)methylamino]phenyl]-N-methylacetamide is sourced from PubChem (CID 43713887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).