(3R)-3-amino-4-ethylsulfanyl-2-hydroxy-N-(naphthalen-1-ylmethyl)butanamide

C17H22N2O2S — CID 70065921

IUPAC(3R)-3-amino-4-ethylsulfanyl-2-hydroxy-N-(naphthalen-1-ylmethyl)butanamide
SMILESCCSC[C@H](N)C(O)C(=O)NCc1cccc2ccccc12
InChIInChI=1S/C17H22N2O2S/c1-2-22-11-15(18)16(20)17(21)19-10-13-8-5-7-12-6-3-4-9-14(12)13/h3-9,15-16,20H,2,10-11,18H2,1H3,(H,19,21)/t15-,16?/m0/s1
InChIKeyDAIGTESGZMYSNZ-VYRBHSGPSA-N
MW318.44 g/mol
LogP1.90
Rot. Bonds7

About (3R)-3-amino-4-ethylsulfanyl-2-hydroxy-N-(naphthalen-1-ylmethyl)butanamide

(3R)-3-amino-4-ethylsulfanyl-2-hydroxy-N-(naphthalen-1-ylmethyl)butanamide (PubChem CID 70065921) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is (3R)-3-amino-4-ethylsulfanyl-2-hydroxy-N-(naphthalen-1-ylmethyl)butanamide.

Molecular Properties

Compound Name(3R)-3-amino-4-ethylsulfanyl-2-hydroxy-N-(naphthalen-1-ylmethyl)butanamide
PubChem CID70065921
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC Name(3R)-3-amino-4-ethylsulfanyl-2-hydroxy-N-(naphthalen-1-ylmethyl)butanamide
SMILESCCSC[C@H](N)C(O)C(=O)NCc1cccc2ccccc12
InChIInChI=1S/C17H22N2O2S/c1-2-22-11-15(18)16(20)17(21)19-10-13-8-5-7-12-6-3-4-9-14(12)13/h3-9,15-16,20H,2,10-11,18H2,1H3,(H,19,21)/t15-,16?/m0/s1
InChIKeyDAIGTESGZMYSNZ-VYRBHSGPSA-N
XLogP1.90
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-methyl-N-(naphthalen-1-ylmethyl)pentanamide
CID 62368637
2-amino-3-methyl-N-(naphthalen-1-ylmethyl)pentanamide;hydrochloride
CID 119709573
2-amino-4-methyl-N-(naphthalen-1-ylmethyl)pentanamide
CID 62368287
4-amino-2-hydroxy-N-(naphthalen-1-ylmethyl)butanamide
CID 83319512
3-(ethylamino)-2-methyl-N-(naphthalen-1-ylmethyl)propanamide
CID 62839648
N-(naphthalen-1-ylmethyl)-2-naphthalen-1-yloxybutanamide
CID 133218992
2-amino-N-(naphthalen-1-ylmethyl)acetamide
CID 62369786
N-(naphthalen-1-ylmethyl)-2-phenylsulfanylpropanamide
CID 133218931
2-methyl-3-(methylamino)-N-(naphthalen-1-ylmethyl)propanamide;hydrochloride
CID 119709567
(2S)-2-amino-N-[(2S)-3-methoxy-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]butanamide
CID 139397810
2-(ethylamino)-N-(naphthalen-1-ylmethyl)acetamide
CID 55068383
(2R)-3-amino-N-benzyl-2-hydroxypentanamide;2,2,2-trifluoroacetic acid
CID 131737762

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-ethylsulfanyl-2-hydroxy-N-(naphthalen-1-ylmethyl)butanamide?
The IUPAC name of (3R)-3-amino-4-ethylsulfanyl-2-hydroxy-N-(naphthalen-1-ylmethyl)butanamide (CID 70065921) is (3R)-3-amino-4-ethylsulfanyl-2-hydroxy-N-(naphthalen-1-ylmethyl)butanamide.
What is the SMILES notation for (3R)-3-amino-4-ethylsulfanyl-2-hydroxy-N-(naphthalen-1-ylmethyl)butanamide?
The canonical SMILES for (3R)-3-amino-4-ethylsulfanyl-2-hydroxy-N-(naphthalen-1-ylmethyl)butanamide is CCSC[C@H](N)C(O)C(=O)NCc1cccc2ccccc12.
What is the InChIKey of (3R)-3-amino-4-ethylsulfanyl-2-hydroxy-N-(naphthalen-1-ylmethyl)butanamide?
The InChIKey is DAIGTESGZMYSNZ-VYRBHSGPSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-2-22-11-15(18)16(20)17(21)19-10-13-8-5-7-12-6-3-4-9-14(12)13/h3-9,15-16,20H,2,10-11,18H2,1H3,(H,19,21)/t15-,16?/m0/s1.
What are the key properties of (3R)-3-amino-4-ethylsulfanyl-2-hydroxy-N-(naphthalen-1-ylmethyl)butanamide?
(3R)-3-amino-4-ethylsulfanyl-2-hydroxy-N-(naphthalen-1-ylmethyl)butanamide has a molecular weight of 318.44 g/mol, XLogP of 1.90, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-ethylsulfanyl-2-hydroxy-N-(naphthalen-1-ylmethyl)butanamide is sourced from PubChem (CID 70065921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).