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

C13H18BrN3O2S — CID 43305811

IUPAC2-(2-amino-4-bromophenyl)sulfanyl-N-(2-methylpropylcarbamoyl)acetamide
SMILESCC(C)CNC(=O)NC(=O)CSc1ccc(Br)cc1N
InChIInChI=1S/C13H18BrN3O2S/c1-8(2)6-16-13(19)17-12(18)7-20-11-4-3-9(14)5-10(11)15/h3-5,8H,6-7,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyNKSZRAJLINAAAA-UHFFFAOYSA-N
MW360.28 g/mol
LogP2.61
Rot. Bonds5

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

2-(2-amino-4-bromophenyl)sulfanyl-N-(2-methylpropylcarbamoyl)acetamide (PubChem CID 43305811) has the molecular formula C13H18BrN3O2S and a molecular weight of 360.28 g/mol. Its IUPAC name is 2-(2-amino-4-bromophenyl)sulfanyl-N-(2-methylpropylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-4-bromophenyl)sulfanyl-N-(2-methylpropylcarbamoyl)acetamide
PubChem CID43305811
Molecular FormulaC13H18BrN3O2S
Molecular Weight360.28 g/mol
Exact Mass359.03
IUPAC Name2-(2-amino-4-bromophenyl)sulfanyl-N-(2-methylpropylcarbamoyl)acetamide
SMILESCC(C)CNC(=O)NC(=O)CSc1ccc(Br)cc1N
InChIInChI=1S/C13H18BrN3O2S/c1-8(2)6-16-13(19)17-12(18)7-20-11-4-3-9(14)5-10(11)15/h3-5,8H,6-7,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyNKSZRAJLINAAAA-UHFFFAOYSA-N
XLogP2.61
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.28
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-amino-2-bromophenyl)sulfanyl-N-(2-methylpropyl)acetamide
CID 82840597
2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-(2-methylpropyl)acetamide
CID 43247404
2-(2-amino-4-bromophenyl)sulfanyl-N-(3-methylphenyl)acetamide
CID 43306161
2-(2-amino-4-bromophenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 43305969
2-(2-amino-4-bromophenyl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide
CID 43305842
2-(2-amino-4-bromophenyl)sulfanyl-N,N-diethylacetamide
CID 43306118
methyl 3-(2-amino-4-bromophenyl)sulfanyl-2-methylpropanoate
CID 61318042
2-(4-amino-3-methylphenyl)sulfanyl-N-(3-methylbutylcarbamoyl)acetamide
CID 79126761
2-(2-amino-4-bromophenyl)sulfanyl-N-(2-methoxyphenyl)acetamide
CID 43306176
2-(4-bromo-2-fluorophenoxy)-N-(2-methylpropylcarbamoyl)acetamide
CID 2522972
2-(3-amino-2-methylphenyl)sulfanyl-N-(3-methylbutylcarbamoyl)acetamide
CID 79128676
methyl N-[2-(2-amino-4-fluorophenyl)sulfanylacetyl]carbamate
CID 43304109

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-bromophenyl)sulfanyl-N-(2-methylpropylcarbamoyl)acetamide?
The IUPAC name of 2-(2-amino-4-bromophenyl)sulfanyl-N-(2-methylpropylcarbamoyl)acetamide (CID 43305811) is 2-(2-amino-4-bromophenyl)sulfanyl-N-(2-methylpropylcarbamoyl)acetamide.
What is the SMILES notation for 2-(2-amino-4-bromophenyl)sulfanyl-N-(2-methylpropylcarbamoyl)acetamide?
The canonical SMILES for 2-(2-amino-4-bromophenyl)sulfanyl-N-(2-methylpropylcarbamoyl)acetamide is CC(C)CNC(=O)NC(=O)CSc1ccc(Br)cc1N.
What is the InChIKey of 2-(2-amino-4-bromophenyl)sulfanyl-N-(2-methylpropylcarbamoyl)acetamide?
The InChIKey is NKSZRAJLINAAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O2S/c1-8(2)6-16-13(19)17-12(18)7-20-11-4-3-9(14)5-10(11)15/h3-5,8H,6-7,15H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-(2-amino-4-bromophenyl)sulfanyl-N-(2-methylpropylcarbamoyl)acetamide?
2-(2-amino-4-bromophenyl)sulfanyl-N-(2-methylpropylcarbamoyl)acetamide has a molecular weight of 360.28 g/mol, XLogP of 2.61, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-bromophenyl)sulfanyl-N-(2-methylpropylcarbamoyl)acetamide is sourced from PubChem (CID 43305811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).