N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-phenylsulfanylacetamide

C14H14ClNO2S2 — CID 71989458

IUPACN-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)NCC(O)c1ccc(Cl)s1
InChIInChI=1S/C14H14ClNO2S2/c15-13-7-6-12(20-13)11(17)8-16-14(18)9-19-10-4-2-1-3-5-10/h1-7,11,17H,8-9H2,(H,16,18)
InChIKeyCTNUWOLGVKTJOH-UHFFFAOYSA-N
MW327.86 g/mol
LogP3.34
Rot. Bonds6

About N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-phenylsulfanylacetamide

N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-phenylsulfanylacetamide (PubChem CID 71989458) has the molecular formula C14H14ClNO2S2 and a molecular weight of 327.86 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-phenylsulfanylacetamide
PubChem CID71989458
Molecular FormulaC14H14ClNO2S2
Molecular Weight327.86 g/mol
Exact Mass327.02
IUPAC NameN-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)NCC(O)c1ccc(Cl)s1
InChIInChI=1S/C14H14ClNO2S2/c15-13-7-6-12(20-13)11(17)8-16-14(18)9-19-10-4-2-1-3-5-10/h1-7,11,17H,8-9H2,(H,16,18)
InChIKeyCTNUWOLGVKTJOH-UHFFFAOYSA-N
XLogP3.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-hydroxypropyl]-2-phenylsulfanylacetamide
CID 83029625
N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-2-phenylsulfanylacetamide
CID 124506824
N-(2-aminopropyl)-2-phenylsulfanylacetamide
CID 63731692
N-(2-ethylbutyl)-2-phenylsulfanylacetamide
CID 115612630
(2S)-N-[(2R)-2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-methyl-3-methylsulfanylpropanamide
CID 95988289
N-(3-hydroxy-3-phenylpropyl)-2-phenylsulfanylacetamide
CID 111471528
N-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-3-phenylsulfanylpropanamide
CID 131702029
1-(5-chlorothiophen-2-yl)-2-phenylsulfanylethanone
CID 43413346
N-[2-methyl-3-(methylamino)propyl]-2-phenylsulfanylacetamide
CID 81479553
N-[(2S)-2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-4-fluorobenzamide
CID 94310935
1-(5-chlorothiophen-2-yl)-2-(methylamino)ethanol
CID 79002149
N-(4-hydroxy-2-methylbutyl)-2-phenylsulfanylacetamide
CID 66107710

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-phenylsulfanylacetamide (CID 71989458) is N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)NCC(O)c1ccc(Cl)s1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-phenylsulfanylacetamide?
The InChIKey is CTNUWOLGVKTJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2S2/c15-13-7-6-12(20-13)11(17)8-16-14(18)9-19-10-4-2-1-3-5-10/h1-7,11,17H,8-9H2,(H,16,18).
What are the key properties of N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-phenylsulfanylacetamide?
N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-phenylsulfanylacetamide has a molecular weight of 327.86 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 71989458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).