2-(2,5-dichlorophenyl)sulfanyl-N-[4-(furan-2-yl)butan-2-yl]acetamide

C16H17Cl2NO2S — CID 55364221

IUPAC2-(2,5-dichlorophenyl)sulfanyl-N-[4-(furan-2-yl)butan-2-yl]acetamide
SMILESCC(CCc1ccco1)NC(=O)CSc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H17Cl2NO2S/c1-11(4-6-13-3-2-8-21-13)19-16(20)10-22-15-9-12(17)5-7-14(15)18/h2-3,5,7-9,11H,4,6,10H2,1H3,(H,19,20)
InChIKeyHVVWXYFMOWBOPB-UHFFFAOYSA-N
MW358.29 g/mol
LogP4.82
Rot. Bonds7

About 2-(2,5-dichlorophenyl)sulfanyl-N-[4-(furan-2-yl)butan-2-yl]acetamide

2-(2,5-dichlorophenyl)sulfanyl-N-[4-(furan-2-yl)butan-2-yl]acetamide (PubChem CID 55364221) has the molecular formula C16H17Cl2NO2S and a molecular weight of 358.29 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfanyl-N-[4-(furan-2-yl)butan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfanyl-N-[4-(furan-2-yl)butan-2-yl]acetamide
PubChem CID55364221
Molecular FormulaC16H17Cl2NO2S
Molecular Weight358.29 g/mol
Exact Mass357.04
IUPAC Name2-(2,5-dichlorophenyl)sulfanyl-N-[4-(furan-2-yl)butan-2-yl]acetamide
SMILESCC(CCc1ccco1)NC(=O)CSc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H17Cl2NO2S/c1-11(4-6-13-3-2-8-21-13)19-16(20)10-22-15-9-12(17)5-7-14(15)18/h2-3,5,7-9,11H,4,6,10H2,1H3,(H,19,20)
InChIKeyHVVWXYFMOWBOPB-UHFFFAOYSA-N
XLogP4.82
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.29
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetamidophenyl)sulfanyl-N-[(2S)-4-(furan-2-yl)butan-2-yl]acetamide
CID 25401477
2-(2-chloro-5-methylphenoxy)-N-[4-(furan-2-yl)butan-2-yl]acetamide
CID 18162414
2-(2-amino-5-chlorophenyl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide
CID 79527977
N-[4-(furan-2-yl)butan-2-yl]-2-(methylamino)acetamide
CID 61249906
N-[4-(furan-2-yl)butan-2-yl]-3-oxobutanamide
CID 61251024
N-[(2R)-4-(furan-2-yl)butan-2-yl]-3-methylbutanamide
CID 94153264
4-chloro-N-[3-[4-(furan-2-yl)butan-2-ylamino]-3-oxopropyl]benzamide
CID 18162412
3-bromo-4-chloro-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 107999462
(2R)-2-(2,5-dichlorophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide
CID 7870521
2-(2,5-dichlorophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide
CID 43390208
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-(furan-2-yl)butan-2-amine
CID 81352630
N-[1-(3-chlorophenyl)ethyl]-4-(furan-2-yl)butan-2-amine
CID 43105060

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-[4-(furan-2-yl)butan-2-yl]acetamide?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-[4-(furan-2-yl)butan-2-yl]acetamide (CID 55364221) is 2-(2,5-dichlorophenyl)sulfanyl-N-[4-(furan-2-yl)butan-2-yl]acetamide.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfanyl-N-[4-(furan-2-yl)butan-2-yl]acetamide?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfanyl-N-[4-(furan-2-yl)butan-2-yl]acetamide is CC(CCc1ccco1)NC(=O)CSc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfanyl-N-[4-(furan-2-yl)butan-2-yl]acetamide?
The InChIKey is HVVWXYFMOWBOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO2S/c1-11(4-6-13-3-2-8-21-13)19-16(20)10-22-15-9-12(17)5-7-14(15)18/h2-3,5,7-9,11H,4,6,10H2,1H3,(H,19,20).
What are the key properties of 2-(2,5-dichlorophenyl)sulfanyl-N-[4-(furan-2-yl)butan-2-yl]acetamide?
2-(2,5-dichlorophenyl)sulfanyl-N-[4-(furan-2-yl)butan-2-yl]acetamide has a molecular weight of 358.29 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)sulfanyl-N-[4-(furan-2-yl)butan-2-yl]acetamide is sourced from PubChem (CID 55364221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).