4-ethoxy-N-[(1R,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]benzamide

C20H26N2O3S — CID 7110612

IUPAC4-ethoxy-N-[(1R,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]benzamide
SMILESCCOc1ccc(C(=O)N[C@@H](C)[C@H](c2cccs2)N2CCOCC2)cc1
InChIInChI=1S/C20H26N2O3S/c1-3-25-17-8-6-16(7-9-17)20(23)21-15(2)19(18-5-4-14-26-18)22-10-12-24-13-11-22/h4-9,14-15,19H,3,10-13H2,1-2H3,(H,21,23)/t15-,19+/m0/s1
InChIKeyHMCUXFONFFACRH-HNAYVOBHSA-N
MW374.51 g/mol
LogP3.34
Rot. Bonds7

About 4-ethoxy-N-[(1R,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]benzamide

4-ethoxy-N-[(1R,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]benzamide (PubChem CID 7110612) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 4-ethoxy-N-[(1R,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[(1R,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]benzamide
PubChem CID7110612
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name4-ethoxy-N-[(1R,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]benzamide
SMILESCCOc1ccc(C(=O)N[C@@H](C)[C@H](c2cccs2)N2CCOCC2)cc1
InChIInChI=1S/C20H26N2O3S/c1-3-25-17-8-6-16(7-9-17)20(23)21-15(2)19(18-5-4-14-26-18)22-10-12-24-13-11-22/h4-9,14-15,19H,3,10-13H2,1-2H3,(H,21,23)/t15-,19+/m0/s1
InChIKeyHMCUXFONFFACRH-HNAYVOBHSA-N
XLogP3.34
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-N-[(1R,2R)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]benzamide
CID 7110616
4-ethoxy-N-[(1S,2S)-1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide
CID 7110678
4-ethoxy-N-[(1S,2R)-1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide
CID 7110680
N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide
CID 3241321
4-methoxy-N-[(1S,2R)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzamide
CID 41144088
N-[(1S,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]furan-2-carboxamide
CID 29181274
phenyl N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)carbamate
CID 3239939
phenyl N-[(1S,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]carbamate
CID 28820776
2-methoxy-N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)benzamide
CID 3238588
2,2-dimethyl-N-[(1S,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]propanamide
CID 7110530
4-ethoxy-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
CID 95246062
4-chloro-N-[(1R,2R)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide
CID 7110760

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(1R,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]benzamide?
The IUPAC name of 4-ethoxy-N-[(1R,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]benzamide (CID 7110612) is 4-ethoxy-N-[(1R,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[(1R,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]benzamide?
The canonical SMILES for 4-ethoxy-N-[(1R,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]benzamide is CCOc1ccc(C(=O)N[C@@H](C)[C@H](c2cccs2)N2CCOCC2)cc1.
What is the InChIKey of 4-ethoxy-N-[(1R,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]benzamide?
The InChIKey is HMCUXFONFFACRH-HNAYVOBHSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-3-25-17-8-6-16(7-9-17)20(23)21-15(2)19(18-5-4-14-26-18)22-10-12-24-13-11-22/h4-9,14-15,19H,3,10-13H2,1-2H3,(H,21,23)/t15-,19+/m0/s1.
What are the key properties of 4-ethoxy-N-[(1R,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]benzamide?
4-ethoxy-N-[(1R,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]benzamide has a molecular weight of 374.51 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(1R,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]benzamide is sourced from PubChem (CID 7110612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).