(2R)-2-(4-methylphenyl)sulfanyl-N-naphthalen-2-ylpropanamide

C20H19NOS — CID 126117082

IUPAC(2R)-2-(4-methylphenyl)sulfanyl-N-naphthalen-2-ylpropanamide
SMILESCc1ccc(S[C@H](C)C(=O)Nc2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H19NOS/c1-14-7-11-19(12-8-14)23-15(2)20(22)21-18-10-9-16-5-3-4-6-17(16)13-18/h3-13,15H,1-2H3,(H,21,22)/t15-/m1/s1
InChIKeyGNAJXISZYRUQIK-OAHLLOKOSA-N
MW321.45 g/mol
LogP5.27
Rot. Bonds4

About (2R)-2-(4-methylphenyl)sulfanyl-N-naphthalen-2-ylpropanamide

(2R)-2-(4-methylphenyl)sulfanyl-N-naphthalen-2-ylpropanamide (PubChem CID 126117082) has the molecular formula C20H19NOS and a molecular weight of 321.45 g/mol. Its IUPAC name is (2R)-2-(4-methylphenyl)sulfanyl-N-naphthalen-2-ylpropanamide.

Molecular Properties

Compound Name(2R)-2-(4-methylphenyl)sulfanyl-N-naphthalen-2-ylpropanamide
PubChem CID126117082
Molecular FormulaC20H19NOS
Molecular Weight321.45 g/mol
Exact Mass321.12
IUPAC Name(2R)-2-(4-methylphenyl)sulfanyl-N-naphthalen-2-ylpropanamide
SMILESCc1ccc(S[C@H](C)C(=O)Nc2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H19NOS/c1-14-7-11-19(12-8-14)23-15(2)20(22)21-18-10-9-16-5-3-4-6-17(16)13-18/h3-13,15H,1-2H3,(H,21,22)/t15-/m1/s1
InChIKeyGNAJXISZYRUQIK-OAHLLOKOSA-N
XLogP5.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.45
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-naphthalen-2-ylpropanamide
CID 23095708
(2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)propanamide
CID 2113012
(2R)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-naphthalen-2-ylpropanamide
CID 8762275
N-(3-methoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 2942646
(2S)-2-(4-methylphenyl)sulfanyl-N-(4-methylsulfanylphenyl)propanamide
CID 9180009
(2R)-N-(3-chlorophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 894028
(2S)-2-(4-methylphenyl)sulfanyl-N-(3-methylsulfanylphenyl)propanamide
CID 951511
(2S)-2-naphthalen-2-ylsulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 7402921
N-[3-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide
CID 18908164
N-(4-iodophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 2943102
2-(4-methylphenyl)sulfanyl-N-pyridin-4-ylpropanamide
CID 2978000
(2S)-N-(4-bromophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 126133104

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methylphenyl)sulfanyl-N-naphthalen-2-ylpropanamide?
The IUPAC name of (2R)-2-(4-methylphenyl)sulfanyl-N-naphthalen-2-ylpropanamide (CID 126117082) is (2R)-2-(4-methylphenyl)sulfanyl-N-naphthalen-2-ylpropanamide.
What is the SMILES notation for (2R)-2-(4-methylphenyl)sulfanyl-N-naphthalen-2-ylpropanamide?
The canonical SMILES for (2R)-2-(4-methylphenyl)sulfanyl-N-naphthalen-2-ylpropanamide is Cc1ccc(S[C@H](C)C(=O)Nc2ccc3ccccc3c2)cc1.
What is the InChIKey of (2R)-2-(4-methylphenyl)sulfanyl-N-naphthalen-2-ylpropanamide?
The InChIKey is GNAJXISZYRUQIK-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H19NOS/c1-14-7-11-19(12-8-14)23-15(2)20(22)21-18-10-9-16-5-3-4-6-17(16)13-18/h3-13,15H,1-2H3,(H,21,22)/t15-/m1/s1.
What are the key properties of (2R)-2-(4-methylphenyl)sulfanyl-N-naphthalen-2-ylpropanamide?
(2R)-2-(4-methylphenyl)sulfanyl-N-naphthalen-2-ylpropanamide has a molecular weight of 321.45 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methylphenyl)sulfanyl-N-naphthalen-2-ylpropanamide is sourced from PubChem (CID 126117082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).