3-chloro-4,5-dimethoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide

C15H16ClNO3S — CID 18110375

IUPAC3-chloro-4,5-dimethoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide
SMILESCOc1cc(C(=O)N(C)Cc2ccsc2)cc(Cl)c1OC
InChIInChI=1S/C15H16ClNO3S/c1-17(8-10-4-5-21-9-10)15(18)11-6-12(16)14(20-3)13(7-11)19-2/h4-7,9H,8H2,1-3H3
InChIKeyARIDDGCNAZDUTQ-UHFFFAOYSA-N
MW325.82 g/mol
LogP3.69
Rot. Bonds5

About 3-chloro-4,5-dimethoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide

3-chloro-4,5-dimethoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide (PubChem CID 18110375) has the molecular formula C15H16ClNO3S and a molecular weight of 325.82 g/mol. Its IUPAC name is 3-chloro-4,5-dimethoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-chloro-4,5-dimethoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide
PubChem CID18110375
Molecular FormulaC15H16ClNO3S
Molecular Weight325.82 g/mol
Exact Mass325.05
IUPAC Name3-chloro-4,5-dimethoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide
SMILESCOc1cc(C(=O)N(C)Cc2ccsc2)cc(Cl)c1OC
InChIInChI=1S/C15H16ClNO3S/c1-17(8-10-4-5-21-9-10)15(18)11-6-12(16)14(20-3)13(7-11)19-2/h4-7,9H,8H2,1-3H3
InChIKeyARIDDGCNAZDUTQ-UHFFFAOYSA-N
XLogP3.69
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[(4-ethylphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide
CID 34889742
3-hydroxy-4-methoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 79673638
5,6-dichloro-N-methyl-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
CID 43396646
2,6-dichloro-N-methyl-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide
CID 43396649
3-chloro-N-[(2,3-dimethoxyphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide
CID 18111968
3-chloro-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide
CID 27719528
3-chloro-5-methoxy-4-(thiophen-3-ylmethoxy)benzoic acid
CID 43646189
3-chloro-4,5-dimethoxy-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzamide
CID 30806369
5-chloro-N-methyl-N-(thiophen-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 31791583
5-chloro-6-hydrazinyl-N-methyl-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
CID 62243030
N-benzyl-3,4,5-trimethoxy-N-methylbenzamide
CID 669607
3-chloro-N-(1H-imidazol-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide
CID 63928489

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4,5-dimethoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide?
The IUPAC name of 3-chloro-4,5-dimethoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide (CID 18110375) is 3-chloro-4,5-dimethoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide.
What is the SMILES notation for 3-chloro-4,5-dimethoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide?
The canonical SMILES for 3-chloro-4,5-dimethoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide is COc1cc(C(=O)N(C)Cc2ccsc2)cc(Cl)c1OC.
What is the InChIKey of 3-chloro-4,5-dimethoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide?
The InChIKey is ARIDDGCNAZDUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3S/c1-17(8-10-4-5-21-9-10)15(18)11-6-12(16)14(20-3)13(7-11)19-2/h4-7,9H,8H2,1-3H3.
What are the key properties of 3-chloro-4,5-dimethoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide?
3-chloro-4,5-dimethoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide has a molecular weight of 325.82 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4,5-dimethoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide is sourced from PubChem (CID 18110375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).