3,5-dimethoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzamide

C19H24N2O4S — CID 30604890

IUPAC3,5-dimethoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NC[C@H](c2ccsc2)N2CCOCC2)c1
InChIInChI=1S/C19H24N2O4S/c1-23-16-9-15(10-17(11-16)24-2)19(22)20-12-18(14-3-8-26-13-14)21-4-6-25-7-5-21/h3,8-11,13,18H,4-7,12H2,1-2H3,(H,20,22)/t18-/m1/s1
InChIKeyFAPVEYGHRLWEKY-GOSISDBHSA-N
MW376.48 g/mol
LogP2.57
Rot. Bonds7

About 3,5-dimethoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzamide

3,5-dimethoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzamide (PubChem CID 30604890) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzamide
PubChem CID30604890
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name3,5-dimethoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NC[C@H](c2ccsc2)N2CCOCC2)c1
InChIInChI=1S/C19H24N2O4S/c1-23-16-9-15(10-17(11-16)24-2)19(22)20-12-18(14-3-8-26-13-14)21-4-6-25-7-5-21/h3,8-11,13,18H,4-7,12H2,1-2H3,(H,20,22)/t18-/m1/s1
InChIKeyFAPVEYGHRLWEKY-GOSISDBHSA-N
XLogP2.57
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzamide (CID 30604890) is 3,5-dimethoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzamide is COc1cc(OC)cc(C(=O)NC[C@H](c2ccsc2)N2CCOCC2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzamide?
The InChIKey is FAPVEYGHRLWEKY-GOSISDBHSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-23-16-9-15(10-17(11-16)24-2)19(22)20-12-18(14-3-8-26-13-14)21-4-6-25-7-5-21/h3,8-11,13,18H,4-7,12H2,1-2H3,(H,20,22)/t18-/m1/s1.
What are the key properties of 3,5-dimethoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzamide?
3,5-dimethoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzamide has a molecular weight of 376.48 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzamide is sourced from PubChem (CID 30604890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).