N-(2-amino-4-chlorophenyl)-3-(4-bromophenyl)sulfanylpropanamide

C15H14BrClN2OS — CID 43345364

IUPACN-(2-amino-4-chlorophenyl)-3-(4-bromophenyl)sulfanylpropanamide
SMILESNc1cc(Cl)ccc1NC(=O)CCSc1ccc(Br)cc1
InChIInChI=1S/C15H14BrClN2OS/c16-10-1-4-12(5-2-10)21-8-7-15(20)19-14-6-3-11(17)9-13(14)18/h1-6,9H,7-8,18H2,(H,19,20)
InChIKeyFEPKPAHKUXKJMU-UHFFFAOYSA-N
MW385.71 g/mol
LogP4.81
Rot. Bonds5

About N-(2-amino-4-chlorophenyl)-3-(4-bromophenyl)sulfanylpropanamide

N-(2-amino-4-chlorophenyl)-3-(4-bromophenyl)sulfanylpropanamide (PubChem CID 43345364) has the molecular formula C15H14BrClN2OS and a molecular weight of 385.71 g/mol. Its IUPAC name is N-(2-amino-4-chlorophenyl)-3-(4-bromophenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-amino-4-chlorophenyl)-3-(4-bromophenyl)sulfanylpropanamide
PubChem CID43345364
Molecular FormulaC15H14BrClN2OS
Molecular Weight385.71 g/mol
Exact Mass383.97
IUPAC NameN-(2-amino-4-chlorophenyl)-3-(4-bromophenyl)sulfanylpropanamide
SMILESNc1cc(Cl)ccc1NC(=O)CCSc1ccc(Br)cc1
InChIInChI=1S/C15H14BrClN2OS/c16-10-1-4-12(5-2-10)21-8-7-15(20)19-14-6-3-11(17)9-13(14)18/h1-6,9H,7-8,18H2,(H,19,20)
InChIKeyFEPKPAHKUXKJMU-UHFFFAOYSA-N
XLogP4.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.71
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-chlorophenyl)-4-phenylsulfanylbutanamide
CID 28546369
N-(2-amino-4-chlorophenyl)-3-methylsulfanylpropanamide
CID 61023723
N-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 1337784
N-(4-aminophenyl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 28555537
N-(2-amino-4-chlorophenyl)-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 61346869
N-(2-amino-4-chlorophenyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide
CID 106922323
N-(4-bromo-2-fluorophenyl)-3-(4-methoxyphenyl)sulfanylpropanamide
CID 43035639
4-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)butanamide
CID 2088465
2-(4-bromophenyl)sulfanyl-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 5140284
methyl 4-(2-amino-4-chloroanilino)-4-oxobutanoate
CID 175254190
N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 23804473
N-(2-amino-4-chlorophenyl)-3-cyclopentyloxypropanamide
CID 16794047

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chlorophenyl)-3-(4-bromophenyl)sulfanylpropanamide?
The IUPAC name of N-(2-amino-4-chlorophenyl)-3-(4-bromophenyl)sulfanylpropanamide (CID 43345364) is N-(2-amino-4-chlorophenyl)-3-(4-bromophenyl)sulfanylpropanamide.
What is the SMILES notation for N-(2-amino-4-chlorophenyl)-3-(4-bromophenyl)sulfanylpropanamide?
The canonical SMILES for N-(2-amino-4-chlorophenyl)-3-(4-bromophenyl)sulfanylpropanamide is Nc1cc(Cl)ccc1NC(=O)CCSc1ccc(Br)cc1.
What is the InChIKey of N-(2-amino-4-chlorophenyl)-3-(4-bromophenyl)sulfanylpropanamide?
The InChIKey is FEPKPAHKUXKJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2OS/c16-10-1-4-12(5-2-10)21-8-7-15(20)19-14-6-3-11(17)9-13(14)18/h1-6,9H,7-8,18H2,(H,19,20).
What are the key properties of N-(2-amino-4-chlorophenyl)-3-(4-bromophenyl)sulfanylpropanamide?
N-(2-amino-4-chlorophenyl)-3-(4-bromophenyl)sulfanylpropanamide has a molecular weight of 385.71 g/mol, XLogP of 4.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-chlorophenyl)-3-(4-bromophenyl)sulfanylpropanamide is sourced from PubChem (CID 43345364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).