(2S)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-phenylpentanamide

C22H28N2O4S — CID 41198913

IUPAC(2S)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-phenylpentanamide
SMILESCCC[C@H](C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1
InChIInChI=1S/C22H28N2O4S/c1-2-6-21(19-7-4-3-5-8-19)22(25)23-17-18-9-11-20(12-10-18)29(26,27)24-13-15-28-16-14-24/h3-5,7-12,21H,2,6,13-17H2,1H3,(H,23,25)/t21-/m0/s1
InChIKeyPCCSIGOLFAOISW-NRFANRHFSA-N
MW416.54 g/mol
LogP2.91
Rot. Bonds8

About (2S)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-phenylpentanamide

(2S)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-phenylpentanamide (PubChem CID 41198913) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is (2S)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-phenylpentanamide.

Molecular Properties

Compound Name(2S)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-phenylpentanamide
PubChem CID41198913
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Name(2S)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-phenylpentanamide
SMILESCCC[C@H](C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1
InChIInChI=1S/C22H28N2O4S/c1-2-6-21(19-7-4-3-5-8-19)22(25)23-17-18-9-11-20(12-10-18)29(26,27)24-13-15-28-16-14-24/h3-5,7-12,21H,2,6,13-17H2,1H3,(H,23,25)/t21-/m0/s1
InChIKeyPCCSIGOLFAOISW-NRFANRHFSA-N
XLogP2.91
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-phenylacetamide
CID 119271586
2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]butanamide
CID 18148823
(2S)-N-(3-morpholin-4-ylsulfonylphenyl)-2-phenylpentanamide
CID 7758976
(2R)-2-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride
CID 119271587
2-methyl-3-(methylamino)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 119690147
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylpentanamide
CID 134049550
(2S)-2-amino-4-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pentanamide;hydrochloride
CID 119690168
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-N'-propan-2-yloxamide
CID 30126407
N-[(4-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-2-phenylacetamide
CID 133238369
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-phenylbutanamide
CID 55704601
(E)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-phenylprop-2-enamide
CID 30505444
N-(2-methyl-2-morpholin-4-ylpropyl)-2-phenylpentanamide
CID 47005479

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-phenylpentanamide?
The IUPAC name of (2S)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-phenylpentanamide (CID 41198913) is (2S)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-phenylpentanamide.
What is the SMILES notation for (2S)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-phenylpentanamide?
The canonical SMILES for (2S)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-phenylpentanamide is CCC[C@H](C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1.
What is the InChIKey of (2S)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-phenylpentanamide?
The InChIKey is PCCSIGOLFAOISW-NRFANRHFSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-2-6-21(19-7-4-3-5-8-19)22(25)23-17-18-9-11-20(12-10-18)29(26,27)24-13-15-28-16-14-24/h3-5,7-12,21H,2,6,13-17H2,1H3,(H,23,25)/t21-/m0/s1.
What are the key properties of (2S)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-phenylpentanamide?
(2S)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-phenylpentanamide has a molecular weight of 416.54 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-phenylpentanamide is sourced from PubChem (CID 41198913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).