2-(4-bromophenyl)sulfanyl-N-[2-[(2S)-butan-2-yl]phenyl]acetamide

C18H20BrNOS — CID 2352126

IUPAC2-(4-bromophenyl)sulfanyl-N-[2-[(2S)-butan-2-yl]phenyl]acetamide
SMILESCC[C@H](C)c1ccccc1NC(=O)CSc1ccc(Br)cc1
InChIInChI=1S/C18H20BrNOS/c1-3-13(2)16-6-4-5-7-17(16)20-18(21)12-22-15-10-8-14(19)9-11-15/h4-11,13H,3,12H2,1-2H3,(H,20,21)/t13-/m0/s1
InChIKeyNBYHXOITIXJQDJ-ZDUSSCGKSA-N
MW378.34 g/mol
LogP5.69
Rot. Bonds6

About 2-(4-bromophenyl)sulfanyl-N-[2-[(2S)-butan-2-yl]phenyl]acetamide

2-(4-bromophenyl)sulfanyl-N-[2-[(2S)-butan-2-yl]phenyl]acetamide (PubChem CID 2352126) has the molecular formula C18H20BrNOS and a molecular weight of 378.34 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-N-[2-[(2S)-butan-2-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-N-[2-[(2S)-butan-2-yl]phenyl]acetamide
PubChem CID2352126
Molecular FormulaC18H20BrNOS
Molecular Weight378.34 g/mol
Exact Mass377.04
IUPAC Name2-(4-bromophenyl)sulfanyl-N-[2-[(2S)-butan-2-yl]phenyl]acetamide
SMILESCC[C@H](C)c1ccccc1NC(=O)CSc1ccc(Br)cc1
InChIInChI=1S/C18H20BrNOS/c1-3-13(2)16-6-4-5-7-17(16)20-18(21)12-22-15-10-8-14(19)9-11-15/h4-11,13H,3,12H2,1-2H3,(H,20,21)/t13-/m0/s1
InChIKeyNBYHXOITIXJQDJ-ZDUSSCGKSA-N
XLogP5.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.34
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 889834
N-(2-butan-2-ylphenyl)-3-phenylsulfanylpropanamide
CID 17381777
N-[2-[(2R)-butan-2-yl]phenyl]-2-pyridin-2-ylsulfanylacetamide
CID 8813692
N-(2-acetylphenyl)-2-(4-bromophenyl)sulfanylacetamide
CID 2561582
N-[2-[(2S)-butan-2-yl]phenyl]-2-quinolin-2-ylsulfanylacetamide
CID 7755322
2-(4-bromophenyl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 2194605
2-(4-chlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide
CID 802169
(4-bromophenyl)methyl-[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl]-methylazanium
CID 9040266
2-benzylsulfanyl-N-[2-[(2S)-butan-2-yl]phenyl]acetamide
CID 889563
N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-[(2S)-butan-2-yl]phenyl]acetamide
CID 7845285
N-[2-[(2S)-butan-2-yl]phenyl]-3,3-dimethylbutanamide
CID 94840429

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-N-[2-[(2S)-butan-2-yl]phenyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-N-[2-[(2S)-butan-2-yl]phenyl]acetamide (CID 2352126) is 2-(4-bromophenyl)sulfanyl-N-[2-[(2S)-butan-2-yl]phenyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-N-[2-[(2S)-butan-2-yl]phenyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-N-[2-[(2S)-butan-2-yl]phenyl]acetamide is CC[C@H](C)c1ccccc1NC(=O)CSc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-N-[2-[(2S)-butan-2-yl]phenyl]acetamide?
The InChIKey is NBYHXOITIXJQDJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20BrNOS/c1-3-13(2)16-6-4-5-7-17(16)20-18(21)12-22-15-10-8-14(19)9-11-15/h4-11,13H,3,12H2,1-2H3,(H,20,21)/t13-/m0/s1.
What are the key properties of 2-(4-bromophenyl)sulfanyl-N-[2-[(2S)-butan-2-yl]phenyl]acetamide?
2-(4-bromophenyl)sulfanyl-N-[2-[(2S)-butan-2-yl]phenyl]acetamide has a molecular weight of 378.34 g/mol, XLogP of 5.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-N-[2-[(2S)-butan-2-yl]phenyl]acetamide is sourced from PubChem (CID 2352126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).