3-(3-bromophenyl)sulfanyl-2,2-dimethyl-N-[(1R)-1-phenylethyl]propanamide

C19H22BrNOS — CID 134120038

IUPAC3-(3-bromophenyl)sulfanyl-2,2-dimethyl-N-[(1R)-1-phenylethyl]propanamide
SMILESC[C@@H](NC(=O)C(C)(C)CSc1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C19H22BrNOS/c1-14(15-8-5-4-6-9-15)21-18(22)19(2,3)13-23-17-11-7-10-16(20)12-17/h4-12,14H,13H2,1-3H3,(H,21,22)/t14-/m1/s1
InChIKeyQAJXERMCFLTBSR-CQSZACIVSA-N
MW392.36 g/mol
LogP5.44
Rot. Bonds6

About 3-(3-bromophenyl)sulfanyl-2,2-dimethyl-N-[(1R)-1-phenylethyl]propanamide

3-(3-bromophenyl)sulfanyl-2,2-dimethyl-N-[(1R)-1-phenylethyl]propanamide (PubChem CID 134120038) has the molecular formula C19H22BrNOS and a molecular weight of 392.36 g/mol. Its IUPAC name is 3-(3-bromophenyl)sulfanyl-2,2-dimethyl-N-[(1R)-1-phenylethyl]propanamide.

Molecular Properties

Compound Name3-(3-bromophenyl)sulfanyl-2,2-dimethyl-N-[(1R)-1-phenylethyl]propanamide
PubChem CID134120038
Molecular FormulaC19H22BrNOS
Molecular Weight392.36 g/mol
Exact Mass391.06
IUPAC Name3-(3-bromophenyl)sulfanyl-2,2-dimethyl-N-[(1R)-1-phenylethyl]propanamide
SMILESC[C@@H](NC(=O)C(C)(C)CSc1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C19H22BrNOS/c1-14(15-8-5-4-6-9-15)21-18(22)19(2,3)13-23-17-11-7-10-16(20)12-17/h4-12,14H,13H2,1-3H3,(H,21,22)/t14-/m1/s1
InChIKeyQAJXERMCFLTBSR-CQSZACIVSA-N
XLogP5.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.36
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-2,2-dimethylpropanamide
CID 115426897
N-[1-(3-bromophenyl)ethyl]-2-hydroxy-2-methylpropanamide
CID 104936569
3-chloro-2,2-dimethyl-N-(1-phenylethyl)propanamide
CID 63681272
3-amino-2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide
CID 115426736
2-bromo-2-methyl-N-(1-phenylethyl)propanamide
CID 82109308
2,2-dimethyl-N-(1-phenylethyl)propanamide
CID 4252554
3-(3-bromophenyl)sulfanyl-2-(methylamino)-2-phenylpropanoic acid
CID 63466924
2,2-dimethyl-N-(1-phenylethyl)pent-4-enamide
CID 71378994
2,2-diphenyl-N-(1-phenylethyl)propanamide
CID 2939416
N-[(1S)-1-(3-bromophenyl)ethyl]-2-phenylacetamide
CID 28558064
2-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-3,3,3-trifluoro-2-methylpropanamide
CID 81376845
N-(3-bromophenyl)-N'-[(1S)-1-phenylethyl]oxamide
CID 2249399

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)sulfanyl-2,2-dimethyl-N-[(1R)-1-phenylethyl]propanamide?
The IUPAC name of 3-(3-bromophenyl)sulfanyl-2,2-dimethyl-N-[(1R)-1-phenylethyl]propanamide (CID 134120038) is 3-(3-bromophenyl)sulfanyl-2,2-dimethyl-N-[(1R)-1-phenylethyl]propanamide.
What is the SMILES notation for 3-(3-bromophenyl)sulfanyl-2,2-dimethyl-N-[(1R)-1-phenylethyl]propanamide?
The canonical SMILES for 3-(3-bromophenyl)sulfanyl-2,2-dimethyl-N-[(1R)-1-phenylethyl]propanamide is C[C@@H](NC(=O)C(C)(C)CSc1cccc(Br)c1)c1ccccc1.
What is the InChIKey of 3-(3-bromophenyl)sulfanyl-2,2-dimethyl-N-[(1R)-1-phenylethyl]propanamide?
The InChIKey is QAJXERMCFLTBSR-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22BrNOS/c1-14(15-8-5-4-6-9-15)21-18(22)19(2,3)13-23-17-11-7-10-16(20)12-17/h4-12,14H,13H2,1-3H3,(H,21,22)/t14-/m1/s1.
What are the key properties of 3-(3-bromophenyl)sulfanyl-2,2-dimethyl-N-[(1R)-1-phenylethyl]propanamide?
3-(3-bromophenyl)sulfanyl-2,2-dimethyl-N-[(1R)-1-phenylethyl]propanamide has a molecular weight of 392.36 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)sulfanyl-2,2-dimethyl-N-[(1R)-1-phenylethyl]propanamide is sourced from PubChem (CID 134120038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).