N-[(2R)-1-(2-morpholin-4-ylanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide

C24H25N3O3S — CID 122196547

IUPACN-[(2R)-1-(2-morpholin-4-ylanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
SMILESO=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1N1CCOCC1)c1cccs1
InChIInChI=1S/C24H25N3O3S/c28-23(25-19-9-4-5-10-21(19)27-12-14-30-15-13-27)20(17-18-7-2-1-3-8-18)26-24(29)22-11-6-16-31-22/h1-11,16,20H,12-15,17H2,(H,25,28)(H,26,29)/t20-/m1/s1
InChIKeyYZLODHPDCSNHTP-HXUWFJFHSA-N
MW435.55 g/mol
LogP3.56
Rot. Bonds7

About N-[(2R)-1-(2-morpholin-4-ylanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide

N-[(2R)-1-(2-morpholin-4-ylanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide (PubChem CID 122196547) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is N-[(2R)-1-(2-morpholin-4-ylanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(2-morpholin-4-ylanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
PubChem CID122196547
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC NameN-[(2R)-1-(2-morpholin-4-ylanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
SMILESO=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1N1CCOCC1)c1cccs1
InChIInChI=1S/C24H25N3O3S/c28-23(25-19-9-4-5-10-21(19)27-12-14-30-15-13-27)20(17-18-7-2-1-3-8-18)26-24(29)22-11-6-16-31-22/h1-11,16,20H,12-15,17H2,(H,25,28)(H,26,29)/t20-/m1/s1
InChIKeyYZLODHPDCSNHTP-HXUWFJFHSA-N
XLogP3.56
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(2-morpholin-4-ylanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[(2R)-1-(2-morpholin-4-ylanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide (CID 122196547) is N-[(2R)-1-(2-morpholin-4-ylanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(2R)-1-(2-morpholin-4-ylanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[(2R)-1-(2-morpholin-4-ylanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide is O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1N1CCOCC1)c1cccs1.
What is the InChIKey of N-[(2R)-1-(2-morpholin-4-ylanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?
The InChIKey is YZLODHPDCSNHTP-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H25N3O3S/c28-23(25-19-9-4-5-10-21(19)27-12-14-30-15-13-27)20(17-18-7-2-1-3-8-18)26-24(29)22-11-6-16-31-22/h1-11,16,20H,12-15,17H2,(H,25,28)(H,26,29)/t20-/m1/s1.
What are the key properties of N-[(2R)-1-(2-morpholin-4-ylanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?
N-[(2R)-1-(2-morpholin-4-ylanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide has a molecular weight of 435.55 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(2-morpholin-4-ylanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 122196547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).