2-(4-chlorophenyl)-N-[(4-hydroxythian-4-yl)methyl]acetamide

C14H18ClNO2S — CID 111484725

IUPAC2-(4-chlorophenyl)-N-[(4-hydroxythian-4-yl)methyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCC1(O)CCSCC1
InChIInChI=1S/C14H18ClNO2S/c15-12-3-1-11(2-4-12)9-13(17)16-10-14(18)5-7-19-8-6-14/h1-4,18H,5-10H2,(H,16,17)
InChIKeyZHPWTAAHIKFKFK-UHFFFAOYSA-N
MW299.82 g/mol
LogP2.26
Rot. Bonds4

About 2-(4-chlorophenyl)-N-[(4-hydroxythian-4-yl)methyl]acetamide

2-(4-chlorophenyl)-N-[(4-hydroxythian-4-yl)methyl]acetamide (PubChem CID 111484725) has the molecular formula C14H18ClNO2S and a molecular weight of 299.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(4-hydroxythian-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(4-hydroxythian-4-yl)methyl]acetamide
PubChem CID111484725
Molecular FormulaC14H18ClNO2S
Molecular Weight299.82 g/mol
Exact Mass299.07
IUPAC Name2-(4-chlorophenyl)-N-[(4-hydroxythian-4-yl)methyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCC1(O)CCSCC1
InChIInChI=1S/C14H18ClNO2S/c15-12-3-1-11(2-4-12)9-13(17)16-10-14(18)5-7-19-8-6-14/h1-4,18H,5-10H2,(H,16,17)
InChIKeyZHPWTAAHIKFKFK-UHFFFAOYSA-N
XLogP2.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.82
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-[(4-hydroxythian-4-yl)methyl]acetamide
CID 111484750
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-(4-chlorophenyl)acetamide
CID 115455902
N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(4-chlorophenyl)acetamide
CID 103969492
1-[[[2-(4-chlorophenyl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113311997
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(4-chlorophenyl)acetamide
CID 115267473
4-ethyl-N-[(4-hydroxythian-4-yl)methyl]benzamide
CID 111484723
N-[(1-hydroxycyclobutyl)methyl]-2-(4-hydroxyphenyl)acetamide
CID 115696780
3-(4-tert-butylphenyl)-N-[(4-hydroxythian-4-yl)methyl]propanamide
CID 111484716
N-[(1-hydroxycycloheptyl)methyl]-2-(4-hydroxyphenyl)acetamide
CID 65122861
2-(4-fluorophenyl)-N-[(6-hydroxy-1,4-dithiepan-6-yl)methyl]acetamide
CID 146074781
2-(4-aminophenyl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]acetamide;hydrochloride
CID 119772654
3,6-dichloro-N-[(4-hydroxythian-4-yl)methyl]pyridine-2-carboxamide
CID 111484832

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(4-hydroxythian-4-yl)methyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(4-hydroxythian-4-yl)methyl]acetamide (CID 111484725) is 2-(4-chlorophenyl)-N-[(4-hydroxythian-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(4-hydroxythian-4-yl)methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(4-hydroxythian-4-yl)methyl]acetamide is O=C(Cc1ccc(Cl)cc1)NCC1(O)CCSCC1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(4-hydroxythian-4-yl)methyl]acetamide?
The InChIKey is ZHPWTAAHIKFKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2S/c15-12-3-1-11(2-4-12)9-13(17)16-10-14(18)5-7-19-8-6-14/h1-4,18H,5-10H2,(H,16,17).
What are the key properties of 2-(4-chlorophenyl)-N-[(4-hydroxythian-4-yl)methyl]acetamide?
2-(4-chlorophenyl)-N-[(4-hydroxythian-4-yl)methyl]acetamide has a molecular weight of 299.82 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(4-hydroxythian-4-yl)methyl]acetamide is sourced from PubChem (CID 111484725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).