[(2R)-3-benzylsulfanyl-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]azanium

C20H21N2OS+ — CID 7408075

IUPAC[(2R)-3-benzylsulfanyl-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]azanium
SMILES[NH3+][C@@H](CSCc1ccccc1)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C20H20N2OS/c21-19(14-24-13-15-6-2-1-3-7-15)20(23)22-18-11-10-16-8-4-5-9-17(16)12-18/h1-12,19H,13-14,21H2,(H,22,23)/p+1/t19-/m0/s1
InChIKeyTWOOKPVYHBSXIU-IBGZPJMESA-O
MW337.47 g/mol
LogP3.32
Rot. Bonds6

About [(2R)-3-benzylsulfanyl-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]azanium

[(2R)-3-benzylsulfanyl-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]azanium (PubChem CID 7408075) has the molecular formula C20H21N2OS+ and a molecular weight of 337.47 g/mol. Its IUPAC name is [(2R)-3-benzylsulfanyl-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]azanium.

Molecular Properties

Compound Name[(2R)-3-benzylsulfanyl-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]azanium
PubChem CID7408075
Molecular FormulaC20H21N2OS+
Molecular Weight337.47 g/mol
Exact Mass337.14
IUPAC Name[(2R)-3-benzylsulfanyl-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]azanium
SMILES[NH3+][C@@H](CSCc1ccccc1)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C20H20N2OS/c21-19(14-24-13-15-6-2-1-3-7-15)20(23)22-18-11-10-16-8-4-5-9-17(16)12-18/h1-12,19H,13-14,21H2,(H,22,23)/p+1/t19-/m0/s1
InChIKeyTWOOKPVYHBSXIU-IBGZPJMESA-O
XLogP3.32
TPSA56.74 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzylsulfanyl-N-naphthalen-2-ylacetamide
CID 2558119
2-amino-N-naphthalen-2-yl-3-phenylpropanamide
CID 577793
2-(benzylamino)-N-naphthalen-2-ylpropanamide
CID 4870007
[(2S)-3-(1H-imidazol-5-yl)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]azanium
CID 7015308
[(4S)-4-azaniumyl-5-(naphthalen-2-ylamino)-5-oxopentyl]-(diaminomethylidene)azanium
CID 7004201
2,3,3-trifluoro-N-naphthalen-2-ylpropanamide
CID 175396381
(2S)-2,4-dimethyl-N-naphthalen-2-ylpentanamide
CID 58642005
N'-naphthalen-2-yl-2-phenylacetohydrazide
CID 2172648
(2R)-2-amino-3-benzylsulfanyl-N-[4-(dimethylamino)phenyl]propanamide
CID 22805618
(2R)-N-naphthalen-2-yl-2-phenoxybutanamide
CID 896831
2-methyl-2-(naphthalen-2-ylamino)propanoic acid
CID 69497419
(2R)-2-amino-3-methyl-N-naphthalen-2-ylbutanamide
CID 671224

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-benzylsulfanyl-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]azanium?
The IUPAC name of [(2R)-3-benzylsulfanyl-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]azanium (CID 7408075) is [(2R)-3-benzylsulfanyl-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]azanium.
What is the SMILES notation for [(2R)-3-benzylsulfanyl-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]azanium?
The canonical SMILES for [(2R)-3-benzylsulfanyl-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]azanium is [NH3+][C@@H](CSCc1ccccc1)C(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of [(2R)-3-benzylsulfanyl-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]azanium?
The InChIKey is TWOOKPVYHBSXIU-IBGZPJMESA-O. The full InChI is InChI=1S/C20H20N2OS/c21-19(14-24-13-15-6-2-1-3-7-15)20(23)22-18-11-10-16-8-4-5-9-17(16)12-18/h1-12,19H,13-14,21H2,(H,22,23)/p+1/t19-/m0/s1.
What are the key properties of [(2R)-3-benzylsulfanyl-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]azanium?
[(2R)-3-benzylsulfanyl-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]azanium has a molecular weight of 337.47 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-benzylsulfanyl-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]azanium is sourced from PubChem (CID 7408075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).