2-(2-amino-2-methylpropyl)sulfanyl-N-(4-bromophenyl)acetamide

C12H17BrN2OS — CID 66230911

IUPAC2-(2-amino-2-methylpropyl)sulfanyl-N-(4-bromophenyl)acetamide
SMILESCC(C)(N)CSCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C12H17BrN2OS/c1-12(2,14)8-17-7-11(16)15-10-5-3-9(13)4-6-10/h3-6H,7-8,14H2,1-2H3,(H,15,16)
InChIKeyBVJXVAFZKIVPFU-UHFFFAOYSA-N
MW317.25 g/mol
LogP2.86
Rot. Bonds5

About 2-(2-amino-2-methylpropyl)sulfanyl-N-(4-bromophenyl)acetamide

2-(2-amino-2-methylpropyl)sulfanyl-N-(4-bromophenyl)acetamide (PubChem CID 66230911) has the molecular formula C12H17BrN2OS and a molecular weight of 317.25 g/mol. Its IUPAC name is 2-(2-amino-2-methylpropyl)sulfanyl-N-(4-bromophenyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-2-methylpropyl)sulfanyl-N-(4-bromophenyl)acetamide
PubChem CID66230911
Molecular FormulaC12H17BrN2OS
Molecular Weight317.25 g/mol
Exact Mass316.02
IUPAC Name2-(2-amino-2-methylpropyl)sulfanyl-N-(4-bromophenyl)acetamide
SMILESCC(C)(N)CSCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C12H17BrN2OS/c1-12(2,14)8-17-7-11(16)15-10-5-3-9(13)4-6-10/h3-6H,7-8,14H2,1-2H3,(H,15,16)
InChIKeyBVJXVAFZKIVPFU-UHFFFAOYSA-N
XLogP2.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.25
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-N-(4-bromophenyl)acetamide
CID 3567894
2-(2-amino-2-methylpropyl)sulfanyl-N-(4-bromo-2-fluorophenyl)acetamide
CID 66230883
N-(4-acetylphenyl)-2-[2-(4-bromoanilino)-2-oxoethyl]sulfanylacetamide
CID 5085970
S-[2-(4-bromoanilino)-2-oxoethyl] carbamothioate
CID 873458
2-(2-amino-2-methylpropyl)sulfonyl-N-(4-bromophenyl)acetamide
CID 81188212
methyl 3-[2-(4-bromoanilino)-2-oxoethyl]sulfanylpropanoate
CID 8766355
2-(2-amino-2-methylpropyl)sulfanyl-N-pyrimidin-2-ylacetamide
CID 66222087
N-[4-[2-(4-bromoanilino)-2-oxoethyl]sulfanylphenyl]-3,3-dimethylbutanamide
CID 22780247
N-(4-bromophenyl)-2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetamide
CID 7964866
N'-(4-bromophenyl)propanediamide
CID 15154636
2-(2-amino-2-methylpropyl)sulfanyl-N-tert-butylacetamide
CID 66230207
N-[2-(4-bromoanilino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 36899593

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-methylpropyl)sulfanyl-N-(4-bromophenyl)acetamide?
The IUPAC name of 2-(2-amino-2-methylpropyl)sulfanyl-N-(4-bromophenyl)acetamide (CID 66230911) is 2-(2-amino-2-methylpropyl)sulfanyl-N-(4-bromophenyl)acetamide.
What is the SMILES notation for 2-(2-amino-2-methylpropyl)sulfanyl-N-(4-bromophenyl)acetamide?
The canonical SMILES for 2-(2-amino-2-methylpropyl)sulfanyl-N-(4-bromophenyl)acetamide is CC(C)(N)CSCC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of 2-(2-amino-2-methylpropyl)sulfanyl-N-(4-bromophenyl)acetamide?
The InChIKey is BVJXVAFZKIVPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2OS/c1-12(2,14)8-17-7-11(16)15-10-5-3-9(13)4-6-10/h3-6H,7-8,14H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-amino-2-methylpropyl)sulfanyl-N-(4-bromophenyl)acetamide?
2-(2-amino-2-methylpropyl)sulfanyl-N-(4-bromophenyl)acetamide has a molecular weight of 317.25 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-methylpropyl)sulfanyl-N-(4-bromophenyl)acetamide is sourced from PubChem (CID 66230911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).