2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(4-hydroxyoxan-4-yl)methyl]acetamide

C13H18ClNO3S2 — CID 79039019

IUPAC2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
SMILESO=C(CSCc1ccc(Cl)s1)NCC1(O)CCOCC1
InChIInChI=1S/C13H18ClNO3S2/c14-11-2-1-10(20-11)7-19-8-12(16)15-9-13(17)3-5-18-6-4-13/h1-2,17H,3-9H2,(H,15,16)
InChIKeyAMFWAHRDVZYXFM-UHFFFAOYSA-N
MW335.88 g/mol
LogP2.29
Rot. Bonds6

About 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(4-hydroxyoxan-4-yl)methyl]acetamide

2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(4-hydroxyoxan-4-yl)methyl]acetamide (PubChem CID 79039019) has the molecular formula C13H18ClNO3S2 and a molecular weight of 335.88 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(4-hydroxyoxan-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
PubChem CID79039019
Molecular FormulaC13H18ClNO3S2
Molecular Weight335.88 g/mol
Exact Mass335.04
IUPAC Name2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
SMILESO=C(CSCc1ccc(Cl)s1)NCC1(O)CCOCC1
InChIInChI=1S/C13H18ClNO3S2/c14-11-2-1-10(20-11)7-19-8-12(16)15-9-13(17)3-5-18-6-4-13/h1-2,17H,3-9H2,(H,15,16)
InChIKeyAMFWAHRDVZYXFM-UHFFFAOYSA-N
XLogP2.29
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.88
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]oxolane-3-carboxylic acid
CID 64890946
N-[(3-hydroxyoxolan-3-yl)methyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 103849551
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2,3-dihydroxypropyl)acetamide
CID 66177472
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2-hydroxypentyl)acetamide
CID 115700723
N-[(4-hydroxyoxan-4-yl)methyl]-2-phenylsulfanylacetamide
CID 79039200
4-[[3-(5-chlorothiophen-2-yl)propanoylamino]methyl]oxane-4-carboxamide
CID 56815659
1-[1-(5-chlorothiophen-2-yl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936566
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methoxyacetamide
CID 60701138
2-butylsulfanyl-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 79039775
2-[[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]methyl]butanoic acid
CID 65218089
2,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]thiophene-3-carboxamide
CID 103712060
N-(5-chloro-2-pyridinyl)-2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide
CID 34136142

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(4-hydroxyoxan-4-yl)methyl]acetamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(4-hydroxyoxan-4-yl)methyl]acetamide (CID 79039019) is 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(4-hydroxyoxan-4-yl)methyl]acetamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(4-hydroxyoxan-4-yl)methyl]acetamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(4-hydroxyoxan-4-yl)methyl]acetamide is O=C(CSCc1ccc(Cl)s1)NCC1(O)CCOCC1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(4-hydroxyoxan-4-yl)methyl]acetamide?
The InChIKey is AMFWAHRDVZYXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3S2/c14-11-2-1-10(20-11)7-19-8-12(16)15-9-13(17)3-5-18-6-4-13/h1-2,17H,3-9H2,(H,15,16).
What are the key properties of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(4-hydroxyoxan-4-yl)methyl]acetamide?
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(4-hydroxyoxan-4-yl)methyl]acetamide has a molecular weight of 335.88 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(4-hydroxyoxan-4-yl)methyl]acetamide is sourced from PubChem (CID 79039019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).