5-morpholin-4-yl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-phenylthiophene-2-carboxamide

C21H27N3O3S — CID 27861002

IUPAC5-morpholin-4-yl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-phenylthiophene-2-carboxamide
SMILESCCCNC(=O)[C@@H](C)NC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1
InChIInChI=1S/C21H27N3O3S/c1-3-9-22-19(25)15(2)23-20(26)18-14-17(16-7-5-4-6-8-16)21(28-18)24-10-12-27-13-11-24/h4-8,14-15H,3,9-13H2,1-2H3,(H,22,25)(H,23,26)/t15-/m1/s1
InChIKeyAYHVTMGDXPOQTB-OAHLLOKOSA-N
MW401.53 g/mol
LogP2.90
Rot. Bonds7

About 5-morpholin-4-yl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-phenylthiophene-2-carboxamide

5-morpholin-4-yl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-phenylthiophene-2-carboxamide (PubChem CID 27861002) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is 5-morpholin-4-yl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-phenylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-morpholin-4-yl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-phenylthiophene-2-carboxamide
PubChem CID27861002
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC Name5-morpholin-4-yl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-phenylthiophene-2-carboxamide
SMILESCCCNC(=O)[C@@H](C)NC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1
InChIInChI=1S/C21H27N3O3S/c1-3-9-22-19(25)15(2)23-20(26)18-14-17(16-7-5-4-6-8-16)21(28-18)24-10-12-27-13-11-24/h4-8,14-15H,3,9-13H2,1-2H3,(H,22,25)(H,23,26)/t15-/m1/s1
InChIKeyAYHVTMGDXPOQTB-OAHLLOKOSA-N
XLogP2.90
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-yl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-phenylthiophene-2-carboxamide?
The IUPAC name of 5-morpholin-4-yl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-phenylthiophene-2-carboxamide (CID 27861002) is 5-morpholin-4-yl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-phenylthiophene-2-carboxamide.
What is the SMILES notation for 5-morpholin-4-yl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-phenylthiophene-2-carboxamide?
The canonical SMILES for 5-morpholin-4-yl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-phenylthiophene-2-carboxamide is CCCNC(=O)[C@@H](C)NC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1.
What is the InChIKey of 5-morpholin-4-yl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-phenylthiophene-2-carboxamide?
The InChIKey is AYHVTMGDXPOQTB-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-3-9-22-19(25)15(2)23-20(26)18-14-17(16-7-5-4-6-8-16)21(28-18)24-10-12-27-13-11-24/h4-8,14-15H,3,9-13H2,1-2H3,(H,22,25)(H,23,26)/t15-/m1/s1.
What are the key properties of 5-morpholin-4-yl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-phenylthiophene-2-carboxamide?
5-morpholin-4-yl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-phenylthiophene-2-carboxamide has a molecular weight of 401.53 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-yl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-phenylthiophene-2-carboxamide is sourced from PubChem (CID 27861002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).