N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide

C13H12ClNOS — CID 60646136

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)c1ccccc1
InChIInChI=1S/C13H12ClNOS/c1-15(9-11-7-8-12(14)17-11)13(16)10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKeyFZVNVVDXQXSOHB-UHFFFAOYSA-N
MW265.77 g/mol
LogP3.67
Rot. Bonds3

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

N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide (PubChem CID 60646136) has the molecular formula C13H12ClNOS and a molecular weight of 265.77 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide
PubChem CID60646136
Molecular FormulaC13H12ClNOS
Molecular Weight265.77 g/mol
Exact Mass265.03
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)c1ccccc1
InChIInChI=1S/C13H12ClNOS/c1-15(9-11-7-8-12(14)17-11)13(16)10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKeyFZVNVVDXQXSOHB-UHFFFAOYSA-N
XLogP3.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.77
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide
CID 54906056
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-4-(propylamino)benzamide
CID 62179777
1-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-1-methylurea
CID 47107929
3-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide
CID 29214137
N-[1-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]benzamide
CID 78792347
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1H-indole-3-carboxamide
CID 17480468
N-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydroxy-N-methylbenzamide
CID 114344048
N-[(5-chlorothiophen-2-yl)methyl]-4-(ethylsulfamoyl)-N-methylbenzamide
CID 9107610
N-[(5-chlorothiophen-2-yl)methyl]-3-[methoxy(methyl)sulfamoyl]-N-methylbenzamide
CID 9375200
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-4-fluoro-N-methylbenzamide
CID 61116554
5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridine-3-carboxamide
CID 9107741
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-phenyltriazole-4-carboxamide
CID 51177702

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide (CID 60646136) is N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide is CN(Cc1ccc(Cl)s1)C(=O)c1ccccc1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide?
The InChIKey is FZVNVVDXQXSOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNOS/c1-15(9-11-7-8-12(14)17-11)13(16)10-5-3-2-4-6-10/h2-8H,9H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide?
N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide has a molecular weight of 265.77 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide is sourced from PubChem (CID 60646136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).