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

C10H15ClN2OS — CID 107166864

IUPAC2-[(4-chlorothiophen-2-yl)methylamino]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CNCc1cc(Cl)cs1
InChIInChI=1S/C10H15ClN2OS/c1-3-13(2)10(14)6-12-5-9-4-8(11)7-15-9/h4,7,12H,3,5-6H2,1-2H3
InChIKeyBLRQRCXOEMUNPM-UHFFFAOYSA-N
MW246.76 g/mol
LogP1.97
Rot. Bonds5

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

2-[(4-chlorothiophen-2-yl)methylamino]-N-ethyl-N-methylacetamide (PubChem CID 107166864) has the molecular formula C10H15ClN2OS and a molecular weight of 246.76 g/mol. Its IUPAC name is 2-[(4-chlorothiophen-2-yl)methylamino]-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-[(4-chlorothiophen-2-yl)methylamino]-N-ethyl-N-methylacetamide
PubChem CID107166864
Molecular FormulaC10H15ClN2OS
Molecular Weight246.76 g/mol
Exact Mass246.06
IUPAC Name2-[(4-chlorothiophen-2-yl)methylamino]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CNCc1cc(Cl)cs1
InChIInChI=1S/C10H15ClN2OS/c1-3-13(2)10(14)6-12-5-9-4-8(11)7-15-9/h4,7,12H,3,5-6H2,1-2H3
InChIKeyBLRQRCXOEMUNPM-UHFFFAOYSA-N
XLogP1.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.76
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]thiophene-3-carboxamide
CID 104923448
3-[2-[(4-chlorothiophen-2-yl)methylamino]ethyl]-1,1-dimethylurea
CID 83115789
2-[(4-chlorothiophen-2-yl)methyl]-1,1-dimethylhydrazine
CID 83006847
2-[(3,4-dichlorophenyl)methylamino]-N-ethyl-N-methylacetamide
CID 104923577
N-ethyl-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]acetamide
CID 61043383
ethyl 4-[(4-chlorothiophen-2-yl)methylamino]butanoate
CID 79427598
2-[(2-chlorophenyl)methylamino]-N-ethyl-N-methylacetamide
CID 43309591
3-[[(4-chlorothiophen-2-yl)methylamino]methyl]pentan-3-ol
CID 79426831
N-[(4-chlorothiophen-2-yl)methyl]-2,2-diethoxyethanamine
CID 79548478
N-[(4-chlorothiophen-2-yl)methyl]prop-2-yn-1-amine
CID 79420548
N-butan-2-yl-3-[(4-chlorothiophen-2-yl)methylamino]propanamide
CID 79419396
N-ethyl-2-[(2-fluoro-5-methylphenyl)methylamino]-N-methylacetamide
CID 104923539

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorothiophen-2-yl)methylamino]-N-ethyl-N-methylacetamide?
The IUPAC name of 2-[(4-chlorothiophen-2-yl)methylamino]-N-ethyl-N-methylacetamide (CID 107166864) is 2-[(4-chlorothiophen-2-yl)methylamino]-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-[(4-chlorothiophen-2-yl)methylamino]-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-[(4-chlorothiophen-2-yl)methylamino]-N-ethyl-N-methylacetamide is CCN(C)C(=O)CNCc1cc(Cl)cs1.
What is the InChIKey of 2-[(4-chlorothiophen-2-yl)methylamino]-N-ethyl-N-methylacetamide?
The InChIKey is BLRQRCXOEMUNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2OS/c1-3-13(2)10(14)6-12-5-9-4-8(11)7-15-9/h4,7,12H,3,5-6H2,1-2H3.
What are the key properties of 2-[(4-chlorothiophen-2-yl)methylamino]-N-ethyl-N-methylacetamide?
2-[(4-chlorothiophen-2-yl)methylamino]-N-ethyl-N-methylacetamide has a molecular weight of 246.76 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorothiophen-2-yl)methylamino]-N-ethyl-N-methylacetamide is sourced from PubChem (CID 107166864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).