N-[2-amino-5-(2-methylpropylsulfanyl)phenyl]acetamide

C12H18N2OS — CID 20567278

IUPACN-[2-amino-5-(2-methylpropylsulfanyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(SCC(C)C)ccc1N
InChIInChI=1S/C12H18N2OS/c1-8(2)7-16-10-4-5-11(13)12(6-10)14-9(3)15/h4-6,8H,7,13H2,1-3H3,(H,14,15)
InChIKeyQAEIRPFJPVTRHH-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.98
Rot. Bonds4

About N-[2-amino-5-(2-methylpropylsulfanyl)phenyl]acetamide

N-[2-amino-5-(2-methylpropylsulfanyl)phenyl]acetamide (PubChem CID 20567278) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is N-[2-amino-5-(2-methylpropylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-amino-5-(2-methylpropylsulfanyl)phenyl]acetamide
PubChem CID20567278
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC NameN-[2-amino-5-(2-methylpropylsulfanyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(SCC(C)C)ccc1N
InChIInChI=1S/C12H18N2OS/c1-8(2)7-16-10-4-5-11(13)12(6-10)14-9(3)15/h4-6,8H,7,13H2,1-3H3,(H,14,15)
InChIKeyQAEIRPFJPVTRHH-UHFFFAOYSA-N
XLogP2.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.98
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-5-(2-methylpropylsulfanyl)phenyl]-2-sulfanylpropanamide
CID 20541422
2-fluoro-4-(2-methylpropylsulfanyl)aniline
CID 79140638
N-[2-amino-5-(4-chloro-2-methylphenyl)sulfanylphenyl]acetamide
CID 70625796
N-[2-amino-5-(4-cyanophenyl)sulfanylphenyl]acetamide
CID 70626300
2-acetamido-3-(4-amino-3-chlorophenyl)sulfanylpropanoic acid
CID 79149694
N-(2-amino-5-propylsulfanylphenyl)-4-iodobenzamide
CID 43549022
methyl 3-(4-amino-3-methylphenyl)sulfanyl-2-bromopropanoate
CID 81091832
3-(4-amino-3-methylphenyl)sulfanyl-2-methylpropan-1-ol
CID 66103746
ethyl 2-(3-acetamido-4-amino-N-ethylanilino)propanoate
CID 138532691
4-(2-methylpropylsulfanyl)benzoic acid
CID 16793794
2-chloro-4-(2-methylpropylsulfanyl)benzoic acid
CID 62944925
N-(2-amino-5-propylsulfanylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949182

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-(2-methylpropylsulfanyl)phenyl]acetamide?
The IUPAC name of N-[2-amino-5-(2-methylpropylsulfanyl)phenyl]acetamide (CID 20567278) is N-[2-amino-5-(2-methylpropylsulfanyl)phenyl]acetamide.
What is the SMILES notation for N-[2-amino-5-(2-methylpropylsulfanyl)phenyl]acetamide?
The canonical SMILES for N-[2-amino-5-(2-methylpropylsulfanyl)phenyl]acetamide is CC(=O)Nc1cc(SCC(C)C)ccc1N.
What is the InChIKey of N-[2-amino-5-(2-methylpropylsulfanyl)phenyl]acetamide?
The InChIKey is QAEIRPFJPVTRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-8(2)7-16-10-4-5-11(13)12(6-10)14-9(3)15/h4-6,8H,7,13H2,1-3H3,(H,14,15).
What are the key properties of N-[2-amino-5-(2-methylpropylsulfanyl)phenyl]acetamide?
N-[2-amino-5-(2-methylpropylsulfanyl)phenyl]acetamide has a molecular weight of 238.36 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-5-(2-methylpropylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 20567278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).