N-(2-amino-5-propylsulfanylphenyl)-4-iodobenzamide

C16H17IN2OS — CID 43549022

IUPACN-(2-amino-5-propylsulfanylphenyl)-4-iodobenzamide
SMILESCCCSc1ccc(N)c(NC(=O)c2ccc(I)cc2)c1
InChIInChI=1S/C16H17IN2OS/c1-2-9-21-13-7-8-14(18)15(10-13)19-16(20)11-3-5-12(17)6-4-11/h3-8,10H,2,9,18H2,1H3,(H,19,20)
InChIKeyZZNHEQOJJLQFKE-UHFFFAOYSA-N
MW412.30 g/mol
LogP4.63
Rot. Bonds5

About N-(2-amino-5-propylsulfanylphenyl)-4-iodobenzamide

N-(2-amino-5-propylsulfanylphenyl)-4-iodobenzamide (PubChem CID 43549022) has the molecular formula C16H17IN2OS and a molecular weight of 412.30 g/mol. Its IUPAC name is N-(2-amino-5-propylsulfanylphenyl)-4-iodobenzamide.

Molecular Properties

Compound NameN-(2-amino-5-propylsulfanylphenyl)-4-iodobenzamide
PubChem CID43549022
Molecular FormulaC16H17IN2OS
Molecular Weight412.30 g/mol
Exact Mass412.01
IUPAC NameN-(2-amino-5-propylsulfanylphenyl)-4-iodobenzamide
SMILESCCCSc1ccc(N)c(NC(=O)c2ccc(I)cc2)c1
InChIInChI=1S/C16H17IN2OS/c1-2-9-21-13-7-8-14(18)15(10-13)19-16(20)11-3-5-12(17)6-4-11/h3-8,10H,2,9,18H2,1H3,(H,19,20)
InChIKeyZZNHEQOJJLQFKE-UHFFFAOYSA-N
XLogP4.63
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.30
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-propylsulfanylphenyl)-2-methylpyrazole-3-carboxamide
CID 62919603
N-(2-amino-5-propylsulfanylphenyl)-5-bromothiophene-2-carboxamide
CID 43549040
N-(2-amino-5-propylsulfanylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949182
1-(2-amino-5-propylsulfanylphenyl)-3-cyclohexylurea
CID 43551185
4-propylsulfanylbenzene-1,2-diamine
CID 3017084
[4-[4-amino-3-[(4-propylbenzoyl)amino]phenyl]phenyl] thiohypoiodite
CID 126723287
N-(2-amino-5-propylsulfanylphenyl)-2-methylcyclopentane-1-carboxamide
CID 107174821
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-ethylsulfanylbenzamide
CID 168913873
N-(2-amino-5-methylphenyl)-4-methylsulfanylbenzamide
CID 112557228
N-(2-amino-5-propylsulfanylphenyl)-1,4-dioxane-2-carboxamide
CID 62799710
N-(3-amino-4-ethylphenyl)-4-iodobenzamide
CID 43550217
N-(2-amino-4-propylsulfanylphenyl)hydroxylamine
CID 130351484

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-propylsulfanylphenyl)-4-iodobenzamide?
The IUPAC name of N-(2-amino-5-propylsulfanylphenyl)-4-iodobenzamide (CID 43549022) is N-(2-amino-5-propylsulfanylphenyl)-4-iodobenzamide.
What is the SMILES notation for N-(2-amino-5-propylsulfanylphenyl)-4-iodobenzamide?
The canonical SMILES for N-(2-amino-5-propylsulfanylphenyl)-4-iodobenzamide is CCCSc1ccc(N)c(NC(=O)c2ccc(I)cc2)c1.
What is the InChIKey of N-(2-amino-5-propylsulfanylphenyl)-4-iodobenzamide?
The InChIKey is ZZNHEQOJJLQFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17IN2OS/c1-2-9-21-13-7-8-14(18)15(10-13)19-16(20)11-3-5-12(17)6-4-11/h3-8,10H,2,9,18H2,1H3,(H,19,20).
What are the key properties of N-(2-amino-5-propylsulfanylphenyl)-4-iodobenzamide?
N-(2-amino-5-propylsulfanylphenyl)-4-iodobenzamide has a molecular weight of 412.30 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-propylsulfanylphenyl)-4-iodobenzamide is sourced from PubChem (CID 43549022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).