(2S)-N-(3-morpholin-4-ylsulfonylphenyl)-2-phenylpentanamide

C21H26N2O4S — CID 7758976

IUPAC(2S)-N-(3-morpholin-4-ylsulfonylphenyl)-2-phenylpentanamide
SMILESCCC[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1
InChIInChI=1S/C21H26N2O4S/c1-2-7-20(17-8-4-3-5-9-17)21(24)22-18-10-6-11-19(16-18)28(25,26)23-12-14-27-15-13-23/h3-6,8-11,16,20H,2,7,12-15H2,1H3,(H,22,24)/t20-/m0/s1
InChIKeyONVSSAIWTFOFKT-FQEVSTJZSA-N
MW402.52 g/mol
LogP3.23
Rot. Bonds7

About (2S)-N-(3-morpholin-4-ylsulfonylphenyl)-2-phenylpentanamide

(2S)-N-(3-morpholin-4-ylsulfonylphenyl)-2-phenylpentanamide (PubChem CID 7758976) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is (2S)-N-(3-morpholin-4-ylsulfonylphenyl)-2-phenylpentanamide.

Molecular Properties

Compound Name(2S)-N-(3-morpholin-4-ylsulfonylphenyl)-2-phenylpentanamide
PubChem CID7758976
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name(2S)-N-(3-morpholin-4-ylsulfonylphenyl)-2-phenylpentanamide
SMILESCCC[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1
InChIInChI=1S/C21H26N2O4S/c1-2-7-20(17-8-4-3-5-9-17)21(24)22-18-10-6-11-19(16-18)28(25,26)23-12-14-27-15-13-23/h3-6,8-11,16,20H,2,7,12-15H2,1H3,(H,22,24)/t20-/m0/s1
InChIKeyONVSSAIWTFOFKT-FQEVSTJZSA-N
XLogP3.23
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(3-morpholin-4-ylsulfonylphenyl)pentanamide
CID 119262364
(2R)-N-(3-methylsulfonylphenyl)-2-phenylpentanamide
CID 9071410
2-amino-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 119262356
(2S)-2-(2-morpholin-4-ylethylamino)-N-(3-morpholin-4-ylsulfonylphenyl)-2-phenylacetamide
CID 30729039
(2S)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-phenylpentanamide
CID 41198913
3-amino-N-(3-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide;hydrochloride
CID 119948702
(2R)-N-[3-(tert-butylsulfamoyl)phenyl]-2-phenylpentanamide
CID 9108359
(2R)-N,N-dimethyl-2-[(3-morpholin-4-ylsulfonylphenyl)carbamoylamino]-2-phenylacetamide
CID 52522864
N-[3-methyl-1-(3-morpholin-4-ylsulfonylanilino)-1-oxobutan-2-yl]benzamide
CID 4852294
[(1R)-2-(3-morpholin-4-ylsulfonylanilino)-2-oxo-1-phenylethyl] furan-3-carboxylate
CID 26985381
(2S)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-phenylpentanamide
CID 9450352
N-(3-morpholin-4-ylsulfonylphenyl)-4-propan-2-ylbenzamide
CID 7759072

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-morpholin-4-ylsulfonylphenyl)-2-phenylpentanamide?
The IUPAC name of (2S)-N-(3-morpholin-4-ylsulfonylphenyl)-2-phenylpentanamide (CID 7758976) is (2S)-N-(3-morpholin-4-ylsulfonylphenyl)-2-phenylpentanamide.
What is the SMILES notation for (2S)-N-(3-morpholin-4-ylsulfonylphenyl)-2-phenylpentanamide?
The canonical SMILES for (2S)-N-(3-morpholin-4-ylsulfonylphenyl)-2-phenylpentanamide is CCC[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1.
What is the InChIKey of (2S)-N-(3-morpholin-4-ylsulfonylphenyl)-2-phenylpentanamide?
The InChIKey is ONVSSAIWTFOFKT-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-2-7-20(17-8-4-3-5-9-17)21(24)22-18-10-6-11-19(16-18)28(25,26)23-12-14-27-15-13-23/h3-6,8-11,16,20H,2,7,12-15H2,1H3,(H,22,24)/t20-/m0/s1.
What are the key properties of (2S)-N-(3-morpholin-4-ylsulfonylphenyl)-2-phenylpentanamide?
(2S)-N-(3-morpholin-4-ylsulfonylphenyl)-2-phenylpentanamide has a molecular weight of 402.52 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-morpholin-4-ylsulfonylphenyl)-2-phenylpentanamide is sourced from PubChem (CID 7758976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).