2-(5-amino-2-chlorophenyl)sulfinyl-N-pentylpropanamide

C14H21ClN2O2S — CID 81201509

IUPAC2-(5-amino-2-chlorophenyl)sulfinyl-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)S(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C14H21ClN2O2S/c1-3-4-5-8-17-14(18)10(2)20(19)13-9-11(16)6-7-12(13)15/h6-7,9-10H,3-5,8,16H2,1-2H3,(H,17,18)
InChIKeyAZIGUUBJXZERNS-UHFFFAOYSA-N
MW316.85 g/mol
LogP2.72
Rot. Bonds7

About 2-(5-amino-2-chlorophenyl)sulfinyl-N-pentylpropanamide

2-(5-amino-2-chlorophenyl)sulfinyl-N-pentylpropanamide (PubChem CID 81201509) has the molecular formula C14H21ClN2O2S and a molecular weight of 316.85 g/mol. Its IUPAC name is 2-(5-amino-2-chlorophenyl)sulfinyl-N-pentylpropanamide.

Molecular Properties

Compound Name2-(5-amino-2-chlorophenyl)sulfinyl-N-pentylpropanamide
PubChem CID81201509
Molecular FormulaC14H21ClN2O2S
Molecular Weight316.85 g/mol
Exact Mass316.10
IUPAC Name2-(5-amino-2-chlorophenyl)sulfinyl-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)S(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C14H21ClN2O2S/c1-3-4-5-8-17-14(18)10(2)20(19)13-9-11(16)6-7-12(13)15/h6-7,9-10H,3-5,8,16H2,1-2H3,(H,17,18)
InChIKeyAZIGUUBJXZERNS-UHFFFAOYSA-N
XLogP2.72
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-2-chlorophenyl)sulfinyl-N-(2-methylpropyl)propanamide
CID 81181954
2-(4-amino-3-fluorophenyl)sulfinyl-N-pentylpropanamide
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2-(5-amino-2-chlorophenyl)sulfinyl-N-cyclopentylpropanamide
CID 81206944
2-(5-amino-2-chlorophenyl)sulfinyl-N-cyclohexylpropanamide
CID 81201850
2-(2-aminophenyl)sulfinyl-N-butylpropanamide
CID 61366897
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CID 81186246
4-chloro-3-pentan-3-ylsulfinylaniline
CID 81206698
2-(5-amino-2-chlorophenyl)sulfinyl-N-propylacetamide
CID 81201988
2-(4-amino-2-methoxyphenyl)sulfinyl-N-(3-methoxypropyl)propanamide
CID 81200685
2-(4-amino-2-methylphenyl)sulfonyl-N-pentylpropanamide
CID 81184621
2-(5-amino-2-chlorophenyl)sulfanyl-N-ethylpropanamide
CID 79133360
5-amino-2-[1-oxo-1-(pentylamino)propan-2-yl]oxybenzamide
CID 106956230

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-chlorophenyl)sulfinyl-N-pentylpropanamide?
The IUPAC name of 2-(5-amino-2-chlorophenyl)sulfinyl-N-pentylpropanamide (CID 81201509) is 2-(5-amino-2-chlorophenyl)sulfinyl-N-pentylpropanamide.
What is the SMILES notation for 2-(5-amino-2-chlorophenyl)sulfinyl-N-pentylpropanamide?
The canonical SMILES for 2-(5-amino-2-chlorophenyl)sulfinyl-N-pentylpropanamide is CCCCCNC(=O)C(C)S(=O)c1cc(N)ccc1Cl.
What is the InChIKey of 2-(5-amino-2-chlorophenyl)sulfinyl-N-pentylpropanamide?
The InChIKey is AZIGUUBJXZERNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2S/c1-3-4-5-8-17-14(18)10(2)20(19)13-9-11(16)6-7-12(13)15/h6-7,9-10H,3-5,8,16H2,1-2H3,(H,17,18).
What are the key properties of 2-(5-amino-2-chlorophenyl)sulfinyl-N-pentylpropanamide?
2-(5-amino-2-chlorophenyl)sulfinyl-N-pentylpropanamide has a molecular weight of 316.85 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-chlorophenyl)sulfinyl-N-pentylpropanamide is sourced from PubChem (CID 81201509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).