3-methoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-propoxybenzamide

C21H28N2O4S — CID 97098857

IUPAC3-methoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)cc1OC
InChIInChI=1S/C21H28N2O4S/c1-3-10-27-18-7-6-16(14-19(18)25-2)21(24)22-15-17(20-5-4-13-28-20)23-8-11-26-12-9-23/h4-7,13-14,17H,3,8-12,15H2,1-2H3,(H,22,24)/t17-/m0/s1
InChIKeyXWOKYFBOCYZPDF-KRWDZBQOSA-N
MW404.53 g/mol
LogP3.35
Rot. Bonds9

About 3-methoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-propoxybenzamide

3-methoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-propoxybenzamide (PubChem CID 97098857) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is 3-methoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-propoxybenzamide.

Molecular Properties

Compound Name3-methoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-propoxybenzamide
PubChem CID97098857
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC Name3-methoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)cc1OC
InChIInChI=1S/C21H28N2O4S/c1-3-10-27-18-7-6-16(14-19(18)25-2)21(24)22-15-17(20-5-4-13-28-20)23-8-11-26-12-9-23/h4-7,13-14,17H,3,8-12,15H2,1-2H3,(H,22,24)/t17-/m0/s1
InChIKeyXWOKYFBOCYZPDF-KRWDZBQOSA-N
XLogP3.35
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-fluoro-4-methoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 18150850
3,4,5-trimethoxy-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide
CID 9094127
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-ethoxy-4-propoxybenzamide
CID 29359882
4-methoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide
CID 30335533
2,6-dimethoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 16831434
3-methoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride
CID 52984959
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-methoxy-4-propoxybenzamide
CID 4876343
[(1S)-2-[(3-methoxy-4-propoxybenzoyl)amino]-1-thiophen-2-ylethyl]-dimethylazanium
CID 2544745
4-(difluoromethoxy)-3-methoxy-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 43006504
3-chloro-4-methoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17013147
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 43005262
6-methyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]pyridine-3-carboxamide
CID 30386631

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-propoxybenzamide?
The IUPAC name of 3-methoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-propoxybenzamide (CID 97098857) is 3-methoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-propoxybenzamide.
What is the SMILES notation for 3-methoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-propoxybenzamide?
The canonical SMILES for 3-methoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-propoxybenzamide is CCCOc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)cc1OC.
What is the InChIKey of 3-methoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-propoxybenzamide?
The InChIKey is XWOKYFBOCYZPDF-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-3-10-27-18-7-6-16(14-19(18)25-2)21(24)22-15-17(20-5-4-13-28-20)23-8-11-26-12-9-23/h4-7,13-14,17H,3,8-12,15H2,1-2H3,(H,22,24)/t17-/m0/s1.
What are the key properties of 3-methoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-propoxybenzamide?
3-methoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-propoxybenzamide has a molecular weight of 404.53 g/mol, XLogP of 3.35, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-propoxybenzamide is sourced from PubChem (CID 97098857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).