2-(2-amino-5-chlorophenyl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide

C14H15ClN2O2S — CID 79527977

IUPAC2-(2-amino-5-chlorophenyl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide
SMILESCC(NC(=O)CSc1cc(Cl)ccc1N)c1ccco1
InChIInChI=1S/C14H15ClN2O2S/c1-9(12-3-2-6-19-12)17-14(18)8-20-13-7-10(15)4-5-11(13)16/h2-7,9H,8,16H2,1H3,(H,17,18)
InChIKeyMDIFARICGNUECY-UHFFFAOYSA-N
MW310.81 g/mol
LogP3.48
Rot. Bonds5

About 2-(2-amino-5-chlorophenyl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide

2-(2-amino-5-chlorophenyl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide (PubChem CID 79527977) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is 2-(2-amino-5-chlorophenyl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-amino-5-chlorophenyl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide
PubChem CID79527977
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Name2-(2-amino-5-chlorophenyl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide
SMILESCC(NC(=O)CSc1cc(Cl)ccc1N)c1ccco1
InChIInChI=1S/C14H15ClN2O2S/c1-9(12-3-2-6-19-12)17-14(18)8-20-13-7-10(15)4-5-11(13)16/h2-7,9H,8,16H2,1H3,(H,17,18)
InChIKeyMDIFARICGNUECY-UHFFFAOYSA-N
XLogP3.48
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-5-bromophenyl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide
CID 79533347
2-(2-amino-5-chlorophenyl)sulfanyl-N-propan-2-ylacetamide
CID 79528068
2-(2-fluorophenyl)sulfanyl-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 95279801
N-[(1S)-1-(furan-2-yl)ethyl]-2-phenylsulfanylacetamide
CID 9482011
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
CID 41036687
2-(2,5-dichlorophenyl)sulfanyl-N-[4-(furan-2-yl)butan-2-yl]acetamide
CID 55364221
[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 4-chloro-2-hydroxybenzoate
CID 9342611
2-[[5-(4-chlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
CID 41155172
[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 9286441
2-[(4,6-dichloro-1H-benzimidazol-2-yl)sulfanyl]-N-[1-(furan-2-yl)ethyl]acetamide
CID 42894046
2-(2-amino-5-chlorophenyl)sulfanyl-N-prop-2-ynylacetamide
CID 79527889
4-chloro-2-(furan-2-ylmethylsulfanyl)aniline
CID 79528052

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-chlorophenyl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide?
The IUPAC name of 2-(2-amino-5-chlorophenyl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide (CID 79527977) is 2-(2-amino-5-chlorophenyl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-amino-5-chlorophenyl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-amino-5-chlorophenyl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide is CC(NC(=O)CSc1cc(Cl)ccc1N)c1ccco1.
What is the InChIKey of 2-(2-amino-5-chlorophenyl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide?
The InChIKey is MDIFARICGNUECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c1-9(12-3-2-6-19-12)17-14(18)8-20-13-7-10(15)4-5-11(13)16/h2-7,9H,8,16H2,1H3,(H,17,18).
What are the key properties of 2-(2-amino-5-chlorophenyl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide?
2-(2-amino-5-chlorophenyl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide has a molecular weight of 310.81 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-chlorophenyl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide is sourced from PubChem (CID 79527977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).