2-(4-chlorophenyl)sulfanyl-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide

C19H16ClNO3S — CID 28686635

IUPAC2-(4-chlorophenyl)sulfanyl-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide
SMILESO=C(CSc1ccc(Cl)cc1)Nc1ccc(-c2ccc(CO)o2)cc1
InChIInChI=1S/C19H16ClNO3S/c20-14-3-8-17(9-4-14)25-12-19(23)21-15-5-1-13(2-6-15)18-10-7-16(11-22)24-18/h1-10,22H,11-12H2,(H,21,23)
InChIKeySLTKRJUYQXCYCB-UHFFFAOYSA-N
MW373.86 g/mol
LogP4.82
Rot. Bonds6

About 2-(4-chlorophenyl)sulfanyl-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide

2-(4-chlorophenyl)sulfanyl-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide (PubChem CID 28686635) has the molecular formula C19H16ClNO3S and a molecular weight of 373.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide
PubChem CID28686635
Molecular FormulaC19H16ClNO3S
Molecular Weight373.86 g/mol
Exact Mass373.05
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide
SMILESO=C(CSc1ccc(Cl)cc1)Nc1ccc(-c2ccc(CO)o2)cc1
InChIInChI=1S/C19H16ClNO3S/c20-14-3-8-17(9-4-14)25-12-19(23)21-15-5-1-13(2-6-15)18-10-7-16(11-22)24-18/h1-10,22H,11-12H2,(H,21,23)
InChIKeySLTKRJUYQXCYCB-UHFFFAOYSA-N
XLogP4.82
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.86
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(4-chloroanilino)-2-oxoethyl]sulfanylphenyl]-3,3-dimethylbutanamide
CID 19630200
(E)-3-(4-chlorophenyl)-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]prop-2-enamide
CID 28677694
2-(4-chlorophenyl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 738704
N-[4-(2-anilino-2-oxoethyl)sulfanylphenyl]-2-(4-chlorophenyl)acetamide
CID 22775721
2-(4-chlorophenyl)sulfanyl-N-(1-methyl-6-oxo-3-pyridinyl)acetamide
CID 75416497
2-(4-bromophenyl)-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide
CID 28666456
N-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylacetamide
CID 4560101
2-(4-chlorophenyl)sulfanyl-N-[4-(cyanomethyl)phenyl]acetamide
CID 7603938
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-2-(4-chlorophenyl)acetamide
CID 28666384
N-(3-amino-4-methylphenyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 43376968
N-(4-chlorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
CID 50773689
2-(4-chlorophenyl)sulfanyl-N-(3,5-dichloro-4-hydroxyphenyl)acetamide
CID 1026425

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide (CID 28686635) is 2-(4-chlorophenyl)sulfanyl-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide is O=C(CSc1ccc(Cl)cc1)Nc1ccc(-c2ccc(CO)o2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide?
The InChIKey is SLTKRJUYQXCYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO3S/c20-14-3-8-17(9-4-14)25-12-19(23)21-15-5-1-13(2-6-15)18-10-7-16(11-22)24-18/h1-10,22H,11-12H2,(H,21,23).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide?
2-(4-chlorophenyl)sulfanyl-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide has a molecular weight of 373.86 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]acetamide is sourced from PubChem (CID 28686635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).