N-(4-amino-2-chlorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide

C11H15ClN2O2S — CID 66114723

IUPACN-(4-amino-2-chlorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide
SMILESNc1ccc(NC(=O)CSCCCO)c(Cl)c1
InChIInChI=1S/C11H15ClN2O2S/c12-9-6-8(13)2-3-10(9)14-11(16)7-17-5-1-4-15/h2-3,6,15H,1,4-5,7,13H2,(H,14,16)
InChIKeyATSLNVUZEXPCAX-UHFFFAOYSA-N
MW274.77 g/mol
LogP1.98
Rot. Bonds6

About N-(4-amino-2-chlorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide

N-(4-amino-2-chlorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide (PubChem CID 66114723) has the molecular formula C11H15ClN2O2S and a molecular weight of 274.77 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide
PubChem CID66114723
Molecular FormulaC11H15ClN2O2S
Molecular Weight274.77 g/mol
Exact Mass274.05
IUPAC NameN-(4-amino-2-chlorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide
SMILESNc1ccc(NC(=O)CSCCCO)c(Cl)c1
InChIInChI=1S/C11H15ClN2O2S/c12-9-6-8(13)2-3-10(9)14-11(16)7-17-5-1-4-15/h2-3,6,15H,1,4-5,7,13H2,(H,14,16)
InChIKeyATSLNVUZEXPCAX-UHFFFAOYSA-N
XLogP1.98
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

N-(4-amino-2-chlorophenyl)-2-pentylsulfanylacetamide
CID 107748600
N-(5-amino-2-fluorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide
CID 66116080
N-(5-amino-2-methylphenyl)-2-(3-hydroxypropylsulfanyl)acetamide
CID 66115840
N-(4-amino-2-chlorophenyl)-3-(2-hydroxyethylsulfanyl)propanamide
CID 43617467
N-(4-amino-2-chlorophenyl)-2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 103288420
N-(4-amino-2-chlorophenyl)-2-(3-hydroxypropylsulfanyl)propanamide
CID 66114719
2-(3-hydroxypropylsulfanyl)-N-(2,4,6-trichlorophenyl)acetamide
CID 66114967
2-(2-aminoethylsulfanyl)-N-(2-chloro-4-methylphenyl)acetamide
CID 43249692
N-(4-amino-2-chlorophenyl)-4-[bis(2-hydroxyethyl)amino]butanamide
CID 61245206
N-(5-amino-2-methylphenyl)-2-butylsulfanylacetamide
CID 43615751
N-(4-amino-2-chlorophenyl)-2-methylsulfinylacetamide
CID 61287457
N-(5-amino-2-fluorophenyl)-2-pentylsulfanylacetamide
CID 107748522

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide (CID 66114723) is N-(4-amino-2-chlorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide is Nc1ccc(NC(=O)CSCCCO)c(Cl)c1.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide?
The InChIKey is ATSLNVUZEXPCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S/c12-9-6-8(13)2-3-10(9)14-11(16)7-17-5-1-4-15/h2-3,6,15H,1,4-5,7,13H2,(H,14,16).
What are the key properties of N-(4-amino-2-chlorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide?
N-(4-amino-2-chlorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide has a molecular weight of 274.77 g/mol, XLogP of 1.98, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chlorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide is sourced from PubChem (CID 66114723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).