2-(2-amino-5-chlorophenyl)sulfanyl-N-propan-2-ylacetamide

C11H15ClN2OS — CID 79528068

IUPAC2-(2-amino-5-chlorophenyl)sulfanyl-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CSc1cc(Cl)ccc1N
InChIInChI=1S/C11H15ClN2OS/c1-7(2)14-11(15)6-16-10-5-8(12)3-4-9(10)13/h3-5,7H,6,13H2,1-2H3,(H,14,15)
InChIKeyLNVAREHLSFVAGM-UHFFFAOYSA-N
MW258.77 g/mol
LogP2.54
Rot. Bonds4

About 2-(2-amino-5-chlorophenyl)sulfanyl-N-propan-2-ylacetamide

2-(2-amino-5-chlorophenyl)sulfanyl-N-propan-2-ylacetamide (PubChem CID 79528068) has the molecular formula C11H15ClN2OS and a molecular weight of 258.77 g/mol. Its IUPAC name is 2-(2-amino-5-chlorophenyl)sulfanyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-amino-5-chlorophenyl)sulfanyl-N-propan-2-ylacetamide
PubChem CID79528068
Molecular FormulaC11H15ClN2OS
Molecular Weight258.77 g/mol
Exact Mass258.06
IUPAC Name2-(2-amino-5-chlorophenyl)sulfanyl-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CSc1cc(Cl)ccc1N
InChIInChI=1S/C11H15ClN2OS/c1-7(2)14-11(15)6-16-10-5-8(12)3-4-9(10)13/h3-5,7H,6,13H2,1-2H3,(H,14,15)
InChIKeyLNVAREHLSFVAGM-UHFFFAOYSA-N
XLogP2.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.77
LogP ≤ 52.54
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

2-(2-amino-5-chlorophenyl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide
CID 79527977
2-(2-amino-4-chloro-5-fluorophenyl)sulfanyl-N-propan-2-ylacetamide
CID 114233204
2-(2-amino-5-chlorophenyl)sulfanyl-N-prop-2-ynylacetamide
CID 79527889
methyl 4-amino-3-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzoate
CID 114234207
2-(2-amino-4-methylphenyl)sulfanyl-N-propan-2-ylacetamide
CID 43302733
4-chloro-2-(2-methylprop-2-enylsulfanyl)aniline
CID 79528297
2-[(2-amino-5-chlorophenyl)sulfanylmethyl]prop-2-enoic acid
CID 79528098
4-chloro-2-(2-methylidenebutylsulfanyl)aniline
CID 79528139
2-(2,5-dichlorophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide
CID 43390208
2-(2-amino-5-bromophenyl)sulfanyl-N-(5-chloro-2-methylphenyl)acetamide
CID 79524833
2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]-4-methylpentanoic acid
CID 43238522
2-[[2-(2-amino-5-chlorophenyl)sulfanylacetyl]-methylamino]-N-propylacetamide
CID 79525436

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-chlorophenyl)sulfanyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(2-amino-5-chlorophenyl)sulfanyl-N-propan-2-ylacetamide (CID 79528068) is 2-(2-amino-5-chlorophenyl)sulfanyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(2-amino-5-chlorophenyl)sulfanyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(2-amino-5-chlorophenyl)sulfanyl-N-propan-2-ylacetamide is CC(C)NC(=O)CSc1cc(Cl)ccc1N.
What is the InChIKey of 2-(2-amino-5-chlorophenyl)sulfanyl-N-propan-2-ylacetamide?
The InChIKey is LNVAREHLSFVAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2OS/c1-7(2)14-11(15)6-16-10-5-8(12)3-4-9(10)13/h3-5,7H,6,13H2,1-2H3,(H,14,15).
What are the key properties of 2-(2-amino-5-chlorophenyl)sulfanyl-N-propan-2-ylacetamide?
2-(2-amino-5-chlorophenyl)sulfanyl-N-propan-2-ylacetamide has a molecular weight of 258.77 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-chlorophenyl)sulfanyl-N-propan-2-ylacetamide is sourced from PubChem (CID 79528068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).