N-methyl-2-thiophen-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide

C17H21NO4S — CID 4794987

IUPACN-methyl-2-thiophen-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CN(C)C(=O)Cc2ccsc2)c(OC)c1OC
InChIInChI=1S/C17H21NO4S/c1-18(15(19)9-12-7-8-23-11-12)10-13-5-6-14(20-2)17(22-4)16(13)21-3/h5-8,11H,9-10H2,1-4H3
InChIKeyQFVTYPJMOJSTEY-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.97
Rot. Bonds7

About N-methyl-2-thiophen-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide

N-methyl-2-thiophen-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide (PubChem CID 4794987) has the molecular formula C17H21NO4S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-methyl-2-thiophen-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-thiophen-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
PubChem CID4794987
Molecular FormulaC17H21NO4S
Molecular Weight335.43 g/mol
Exact Mass335.12
IUPAC NameN-methyl-2-thiophen-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CN(C)C(=O)Cc2ccsc2)c(OC)c1OC
InChIInChI=1S/C17H21NO4S/c1-18(15(19)9-12-7-8-23-11-12)10-13-5-6-14(20-2)17(22-4)16(13)21-3/h5-8,11H,9-10H2,1-4H3
InChIKeyQFVTYPJMOJSTEY-UHFFFAOYSA-N
XLogP2.97
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-thiophen-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide?
The IUPAC name of N-methyl-2-thiophen-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide (CID 4794987) is N-methyl-2-thiophen-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for N-methyl-2-thiophen-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide?
The canonical SMILES for N-methyl-2-thiophen-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide is COc1ccc(CN(C)C(=O)Cc2ccsc2)c(OC)c1OC.
What is the InChIKey of N-methyl-2-thiophen-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide?
The InChIKey is QFVTYPJMOJSTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4S/c1-18(15(19)9-12-7-8-23-11-12)10-13-5-6-14(20-2)17(22-4)16(13)21-3/h5-8,11H,9-10H2,1-4H3.
What are the key properties of N-methyl-2-thiophen-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide?
N-methyl-2-thiophen-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide has a molecular weight of 335.43 g/mol, XLogP of 2.97, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-thiophen-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 4794987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).