2,3,4-trimethoxy-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide

C19H19NO4S2 — CID 129354524

IUPAC2,3,4-trimethoxy-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)N[C@@H](c2ccsc2)c2cccs2)c(OC)c1OC
InChIInChI=1S/C19H19NO4S2/c1-22-14-7-6-13(17(23-2)18(14)24-3)19(21)20-16(12-8-10-25-11-12)15-5-4-9-26-15/h4-11,16H,1-3H3,(H,20,21)/t16-/m0/s1
InChIKeyALATVWUVISWJQE-INIZCTEOSA-N
MW389.50 g/mol
LogP4.35
Rot. Bonds7

About 2,3,4-trimethoxy-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide

2,3,4-trimethoxy-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide (PubChem CID 129354524) has the molecular formula C19H19NO4S2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 2,3,4-trimethoxy-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2,3,4-trimethoxy-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide
PubChem CID129354524
Molecular FormulaC19H19NO4S2
Molecular Weight389.50 g/mol
Exact Mass389.08
IUPAC Name2,3,4-trimethoxy-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)N[C@@H](c2ccsc2)c2cccs2)c(OC)c1OC
InChIInChI=1S/C19H19NO4S2/c1-22-14-7-6-13(17(23-2)18(14)24-3)19(21)20-16(12-8-10-25-11-12)15-5-4-9-26-15/h4-11,16H,1-3H3,(H,20,21)/t16-/m0/s1
InChIKeyALATVWUVISWJQE-INIZCTEOSA-N
XLogP4.35
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-2-methoxy-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide
CID 129354714
3-fluoro-4-methoxy-N-[thiophen-2-yl(thiophen-3-yl)methyl]benzamide
CID 119104238
4-methoxy-N-[thiophen-2-yl(thiophen-3-yl)methyl]benzamide
CID 121021382
2-chloro-4-fluoro-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide
CID 129354884
2,3,4-trimethoxy-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide
CID 16931575
(E)-3-(3,4-dimethoxyphenyl)-N-[thiophen-2-yl(thiophen-3-yl)methyl]prop-2-enamide
CID 119104226
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-2,3,4-trimethoxybenzamide
CID 121170123
2-cyclopropyl-N-[thiophen-2-yl(thiophen-3-yl)methyl]acetamide
CID 119104241
1-propyl-3-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]urea
CID 129355017
N-(1-thiophen-2-ylethyl)-2-(2,3,4-trimethoxyphenyl)acetamide
CID 18090212
2-(2-fluorophenoxy)-N-[(R)-thiophen-2-yl(thiophen-3-yl)methyl]acetamide
CID 129355138
2-(3-aminopropoxy)-3-methoxy-N-(1-thiophen-3-ylethyl)benzamide
CID 118790837

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethoxy-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide?
The IUPAC name of 2,3,4-trimethoxy-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide (CID 129354524) is 2,3,4-trimethoxy-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide.
What is the SMILES notation for 2,3,4-trimethoxy-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide?
The canonical SMILES for 2,3,4-trimethoxy-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide is COc1ccc(C(=O)N[C@@H](c2ccsc2)c2cccs2)c(OC)c1OC.
What is the InChIKey of 2,3,4-trimethoxy-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide?
The InChIKey is ALATVWUVISWJQE-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19NO4S2/c1-22-14-7-6-13(17(23-2)18(14)24-3)19(21)20-16(12-8-10-25-11-12)15-5-4-9-26-15/h4-11,16H,1-3H3,(H,20,21)/t16-/m0/s1.
What are the key properties of 2,3,4-trimethoxy-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide?
2,3,4-trimethoxy-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide has a molecular weight of 389.50 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethoxy-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide is sourced from PubChem (CID 129354524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).