2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide

C15H16ClNO2S2 — CID 103944560

IUPAC2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
SMILESO=C(CSCc1ccc(Cl)s1)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C15H16ClNO2S2/c16-14-7-6-12(21-14)9-20-10-15(19)17-13(8-18)11-4-2-1-3-5-11/h1-7,13,18H,8-10H2,(H,17,19)/t13-/m0/s1
InChIKeyQDHQJQPYRMDSBU-ZDUSSCGKSA-N
MW341.89 g/mol
LogP3.48
Rot. Bonds7

About 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide

2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide (PubChem CID 103944560) has the molecular formula C15H16ClNO2S2 and a molecular weight of 341.89 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
PubChem CID103944560
Molecular FormulaC15H16ClNO2S2
Molecular Weight341.89 g/mol
Exact Mass341.03
IUPAC Name2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
SMILESO=C(CSCc1ccc(Cl)s1)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C15H16ClNO2S2/c16-14-7-6-12(21-14)9-20-10-15(19)17-13(8-18)11-4-2-1-3-5-11/h1-7,13,18H,8-10H2,(H,17,19)/t13-/m0/s1
InChIKeyQDHQJQPYRMDSBU-ZDUSSCGKSA-N
XLogP3.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.89
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]-3-hydroxypropanoic acid
CID 43171672
N-[(1S)-2-hydroxy-1-phenylethyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 103945338
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(1-hydroxypropan-2-yl)acetamide
CID 43418794
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(4-hydroxybutan-2-yl)acetamide
CID 115283632
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2,3-dihydroxypropyl)acetamide
CID 66177472
(2R)-4-amino-2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]-4-oxobutanoic acid
CID 107821452
5-chloro-N-(2-hydroxy-1-phenylethyl)thiophene-2-carboxamide
CID 63182495
N-(2-hydroxy-1-phenylethyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 110931174
N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylsulfanylacetamide
CID 103944553
2-(cyanomethylsulfanyl)-N-(2-hydroxy-1-phenylethyl)acetamide
CID 63182591
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(5-chlorothiophen-2-yl)propanamide
CID 110004644
ethyl 2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]propanoate
CID 47368145

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide (CID 103944560) is 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide is O=C(CSCc1ccc(Cl)s1)N[C@@H](CO)c1ccccc1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide?
The InChIKey is QDHQJQPYRMDSBU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H16ClNO2S2/c16-14-7-6-12(21-14)9-20-10-15(19)17-13(8-18)11-4-2-1-3-5-11/h1-7,13,18H,8-10H2,(H,17,19)/t13-/m0/s1.
What are the key properties of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide?
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide has a molecular weight of 341.89 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide is sourced from PubChem (CID 103944560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).