(2R)-2-(4-bromophenyl)sulfanyl-N-naphthalen-1-ylpropanamide

C19H16BrNOS — CID 7785389

IUPAC(2R)-2-(4-bromophenyl)sulfanyl-N-naphthalen-1-ylpropanamide
SMILESC[C@@H](Sc1ccc(Br)cc1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C19H16BrNOS/c1-13(23-16-11-9-15(20)10-12-16)19(22)21-18-8-4-6-14-5-2-3-7-17(14)18/h2-13H,1H3,(H,21,22)/t13-/m1/s1
InChIKeyZWQHXAIOTBTMIX-CYBMUJFWSA-N
MW386.31 g/mol
LogP5.72
Rot. Bonds4

About (2R)-2-(4-bromophenyl)sulfanyl-N-naphthalen-1-ylpropanamide

(2R)-2-(4-bromophenyl)sulfanyl-N-naphthalen-1-ylpropanamide (PubChem CID 7785389) has the molecular formula C19H16BrNOS and a molecular weight of 386.31 g/mol. Its IUPAC name is (2R)-2-(4-bromophenyl)sulfanyl-N-naphthalen-1-ylpropanamide.

Molecular Properties

Compound Name(2R)-2-(4-bromophenyl)sulfanyl-N-naphthalen-1-ylpropanamide
PubChem CID7785389
Molecular FormulaC19H16BrNOS
Molecular Weight386.31 g/mol
Exact Mass385.01
IUPAC Name(2R)-2-(4-bromophenyl)sulfanyl-N-naphthalen-1-ylpropanamide
SMILESC[C@@H](Sc1ccc(Br)cc1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C19H16BrNOS/c1-13(23-16-11-9-15(20)10-12-16)19(22)21-18-8-4-6-14-5-2-3-7-17(14)18/h2-13H,1H3,(H,21,22)/t13-/m1/s1
InChIKeyZWQHXAIOTBTMIX-CYBMUJFWSA-N
XLogP5.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.31
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-2-(4-bromophenyl)sulfanyl-N-naphthalen-1-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]pentanamide
CID 19631573
(Z)-2-methyl-4-[4-[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]sulfanylanilino]-4-oxobut-2-enoic acid
CID 19059410
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-naphthalen-1-ylpropanamide
CID 94019708
2-[[4-[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid
CID 22785226
2-bromo-3-methyl-N-naphthalen-1-ylbutanamide
CID 4074049
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-naphthalen-1-ylpropanamide
CID 4819393
(2R)-N-naphthalen-1-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 7785065
N-[(Z)-3-[4-[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]sulfanylanilino]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 19715532
2,6-dimethoxy-N-[3-[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide
CID 18907877
(2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylpropanamide
CID 8010528
(2S)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-naphthalen-1-ylpropanamide
CID 7464840
2-[(5-chloro-2-pyridinyl)sulfanyl]-N-naphthalen-1-ylpropanamide
CID 112815636

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-bromophenyl)sulfanyl-N-naphthalen-1-ylpropanamide?
The IUPAC name of (2R)-2-(4-bromophenyl)sulfanyl-N-naphthalen-1-ylpropanamide (CID 7785389) is (2R)-2-(4-bromophenyl)sulfanyl-N-naphthalen-1-ylpropanamide.
What is the SMILES notation for (2R)-2-(4-bromophenyl)sulfanyl-N-naphthalen-1-ylpropanamide?
The canonical SMILES for (2R)-2-(4-bromophenyl)sulfanyl-N-naphthalen-1-ylpropanamide is C[C@@H](Sc1ccc(Br)cc1)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of (2R)-2-(4-bromophenyl)sulfanyl-N-naphthalen-1-ylpropanamide?
The InChIKey is ZWQHXAIOTBTMIX-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H16BrNOS/c1-13(23-16-11-9-15(20)10-12-16)19(22)21-18-8-4-6-14-5-2-3-7-17(14)18/h2-13H,1H3,(H,21,22)/t13-/m1/s1.
What are the key properties of (2R)-2-(4-bromophenyl)sulfanyl-N-naphthalen-1-ylpropanamide?
(2R)-2-(4-bromophenyl)sulfanyl-N-naphthalen-1-ylpropanamide has a molecular weight of 386.31 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-bromophenyl)sulfanyl-N-naphthalen-1-ylpropanamide is sourced from PubChem (CID 7785389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).