(2R,4S)-5-[(4-chlorophenyl)sulfinylamino]-2-ethyl-4-hydroxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide

C23H29ClN2O3S — CID 90154279

IUPAC(2R,4S)-5-[(4-chlorophenyl)sulfinylamino]-2-ethyl-4-hydroxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide
SMILESCC[C@H](C[C@H](O)CNS(=O)c1ccc(Cl)cc1)C(=O)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C23H29ClN2O3S/c1-2-16(14-19(27)15-25-30(29)20-12-10-18(24)11-13-20)23(28)26-22-9-5-7-17-6-3-4-8-21(17)22/h3-4,6,8,10-13,16,19,22,25,27H,2,5,7,9,14-15H2,1H3,(H,26,28)/t16-,19+,22-,30?/m1/s1
InChIKeyFSFIIBPTIKJXKW-IVJZKJSKSA-N
MW449.02 g/mol
LogP3.92
Rot. Bonds9

About (2R,4S)-5-[(4-chlorophenyl)sulfinylamino]-2-ethyl-4-hydroxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide

(2R,4S)-5-[(4-chlorophenyl)sulfinylamino]-2-ethyl-4-hydroxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide (PubChem CID 90154279) has the molecular formula C23H29ClN2O3S and a molecular weight of 449.02 g/mol. Its IUPAC name is (2R,4S)-5-[(4-chlorophenyl)sulfinylamino]-2-ethyl-4-hydroxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide.

Molecular Properties

Compound Name(2R,4S)-5-[(4-chlorophenyl)sulfinylamino]-2-ethyl-4-hydroxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide
PubChem CID90154279
Molecular FormulaC23H29ClN2O3S
Molecular Weight449.02 g/mol
Exact Mass448.16
IUPAC Name(2R,4S)-5-[(4-chlorophenyl)sulfinylamino]-2-ethyl-4-hydroxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide
SMILESCC[C@H](C[C@H](O)CNS(=O)c1ccc(Cl)cc1)C(=O)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C23H29ClN2O3S/c1-2-16(14-19(27)15-25-30(29)20-12-10-18(24)11-13-20)23(28)26-22-9-5-7-17-6-3-4-8-21(17)22/h3-4,6,8,10-13,16,19,22,25,27H,2,5,7,9,14-15H2,1H3,(H,26,28)/t16-,19+,22-,30?/m1/s1
InChIKeyFSFIIBPTIKJXKW-IVJZKJSKSA-N
XLogP3.92
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.02
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-chlorophenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
CID 99131719
2-methyl-3-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 79196084
(2S)-2-amino-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide
CID 61155981
3-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide
CID 144973530
2,5-dichloro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2124760
3-(4-chlorophenyl)sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 7919825
2-(4-chlorophenyl)sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 6596911
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 4781124
[(2S)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 3,5-dichlorobenzoate
CID 7724282
(2S)-2-(N-methylsulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
CID 92672083
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133161744
(2R)-2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 93209246

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-5-[(4-chlorophenyl)sulfinylamino]-2-ethyl-4-hydroxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide?
The IUPAC name of (2R,4S)-5-[(4-chlorophenyl)sulfinylamino]-2-ethyl-4-hydroxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide (CID 90154279) is (2R,4S)-5-[(4-chlorophenyl)sulfinylamino]-2-ethyl-4-hydroxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide.
What is the SMILES notation for (2R,4S)-5-[(4-chlorophenyl)sulfinylamino]-2-ethyl-4-hydroxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide?
The canonical SMILES for (2R,4S)-5-[(4-chlorophenyl)sulfinylamino]-2-ethyl-4-hydroxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide is CC[C@H](C[C@H](O)CNS(=O)c1ccc(Cl)cc1)C(=O)N[C@@H]1CCCc2ccccc21.
What is the InChIKey of (2R,4S)-5-[(4-chlorophenyl)sulfinylamino]-2-ethyl-4-hydroxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide?
The InChIKey is FSFIIBPTIKJXKW-IVJZKJSKSA-N. The full InChI is InChI=1S/C23H29ClN2O3S/c1-2-16(14-19(27)15-25-30(29)20-12-10-18(24)11-13-20)23(28)26-22-9-5-7-17-6-3-4-8-21(17)22/h3-4,6,8,10-13,16,19,22,25,27H,2,5,7,9,14-15H2,1H3,(H,26,28)/t16-,19+,22-,30?/m1/s1.
What are the key properties of (2R,4S)-5-[(4-chlorophenyl)sulfinylamino]-2-ethyl-4-hydroxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide?
(2R,4S)-5-[(4-chlorophenyl)sulfinylamino]-2-ethyl-4-hydroxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide has a molecular weight of 449.02 g/mol, XLogP of 3.92, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-5-[(4-chlorophenyl)sulfinylamino]-2-ethyl-4-hydroxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide is sourced from PubChem (CID 90154279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).