(2S)-2-(2-morpholin-4-ylethylamino)-N-(3-morpholin-4-ylsulfonylphenyl)-2-phenylacetamide

C24H32N4O5S — CID 30729039

IUPAC(2S)-2-(2-morpholin-4-ylethylamino)-N-(3-morpholin-4-ylsulfonylphenyl)-2-phenylacetamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H](NCCN1CCOCC1)c1ccccc1
InChIInChI=1S/C24H32N4O5S/c29-24(23(20-5-2-1-3-6-20)25-9-10-27-11-15-32-16-12-27)26-21-7-4-8-22(19-21)34(30,31)28-13-17-33-18-14-28/h1-8,19,23,25H,9-18H2,(H,26,29)/t23-/m0/s1
InChIKeyCVWOJXSYTSMZDL-QHCPKHFHSA-N
MW488.61 g/mol
LogP1.31
Rot. Bonds9

About (2S)-2-(2-morpholin-4-ylethylamino)-N-(3-morpholin-4-ylsulfonylphenyl)-2-phenylacetamide

(2S)-2-(2-morpholin-4-ylethylamino)-N-(3-morpholin-4-ylsulfonylphenyl)-2-phenylacetamide (PubChem CID 30729039) has the molecular formula C24H32N4O5S and a molecular weight of 488.61 g/mol. Its IUPAC name is (2S)-2-(2-morpholin-4-ylethylamino)-N-(3-morpholin-4-ylsulfonylphenyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-(2-morpholin-4-ylethylamino)-N-(3-morpholin-4-ylsulfonylphenyl)-2-phenylacetamide
PubChem CID30729039
Molecular FormulaC24H32N4O5S
Molecular Weight488.61 g/mol
Exact Mass488.21
IUPAC Name(2S)-2-(2-morpholin-4-ylethylamino)-N-(3-morpholin-4-ylsulfonylphenyl)-2-phenylacetamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H](NCCN1CCOCC1)c1ccccc1
InChIInChI=1S/C24H32N4O5S/c29-24(23(20-5-2-1-3-6-20)25-9-10-27-11-15-32-16-12-27)26-21-7-4-8-22(19-21)34(30,31)28-13-17-33-18-14-28/h1-8,19,23,25H,9-18H2,(H,26,29)/t23-/m0/s1
InChIKeyCVWOJXSYTSMZDL-QHCPKHFHSA-N
XLogP1.31
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.61
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-N-(3-morpholin-4-ylsulfonylphenyl)-2-phenylpentanamide
CID 7758976
(2R)-N,N-dimethyl-2-[(3-morpholin-4-ylsulfonylphenyl)carbamoylamino]-2-phenylacetamide
CID 52522864
2-amino-N-(3-morpholin-4-ylsulfonylphenyl)pentanamide
CID 119262364
3-amino-N-(3-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide;hydrochloride
CID 119948702
2-amino-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 119262356
[(1R)-2-(3-morpholin-4-ylsulfonylanilino)-2-oxo-1-phenylethyl] furan-3-carboxylate
CID 26985381
N-[3-methyl-1-(3-morpholin-4-ylsulfonylanilino)-1-oxobutan-2-yl]benzamide
CID 4852294
N-(4-fluorophenyl)-2-phenyl-2-(3-pyrrolidin-1-ylsulfonylanilino)acetamide
CID 42911934
N-[3-(3-morpholin-4-ylsulfonylanilino)-3-oxopropyl]benzamide
CID 8874279
(2S)-N-(3-morpholin-4-ylsulfonylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanamide
CID 40786654
(2R)-N-(3-morpholin-4-ylsulfonylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanamide
CID 40786655
[(1R)-2-(3-morpholin-4-ylsulfonylanilino)-2-oxo-1-phenylethyl] 4-(trifluoromethyl)benzoate
CID 98387255

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-morpholin-4-ylethylamino)-N-(3-morpholin-4-ylsulfonylphenyl)-2-phenylacetamide?
The IUPAC name of (2S)-2-(2-morpholin-4-ylethylamino)-N-(3-morpholin-4-ylsulfonylphenyl)-2-phenylacetamide (CID 30729039) is (2S)-2-(2-morpholin-4-ylethylamino)-N-(3-morpholin-4-ylsulfonylphenyl)-2-phenylacetamide.
What is the SMILES notation for (2S)-2-(2-morpholin-4-ylethylamino)-N-(3-morpholin-4-ylsulfonylphenyl)-2-phenylacetamide?
The canonical SMILES for (2S)-2-(2-morpholin-4-ylethylamino)-N-(3-morpholin-4-ylsulfonylphenyl)-2-phenylacetamide is O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H](NCCN1CCOCC1)c1ccccc1.
What is the InChIKey of (2S)-2-(2-morpholin-4-ylethylamino)-N-(3-morpholin-4-ylsulfonylphenyl)-2-phenylacetamide?
The InChIKey is CVWOJXSYTSMZDL-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H32N4O5S/c29-24(23(20-5-2-1-3-6-20)25-9-10-27-11-15-32-16-12-27)26-21-7-4-8-22(19-21)34(30,31)28-13-17-33-18-14-28/h1-8,19,23,25H,9-18H2,(H,26,29)/t23-/m0/s1.
What are the key properties of (2S)-2-(2-morpholin-4-ylethylamino)-N-(3-morpholin-4-ylsulfonylphenyl)-2-phenylacetamide?
(2S)-2-(2-morpholin-4-ylethylamino)-N-(3-morpholin-4-ylsulfonylphenyl)-2-phenylacetamide has a molecular weight of 488.61 g/mol, XLogP of 1.31, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-morpholin-4-ylethylamino)-N-(3-morpholin-4-ylsulfonylphenyl)-2-phenylacetamide is sourced from PubChem (CID 30729039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).