3-(5-chlorothiophen-2-yl)-N-[(4-methylsulfanyloxan-4-yl)methyl]propanamide

C14H20ClNO2S2 — CID 71999126

IUPAC3-(5-chlorothiophen-2-yl)-N-[(4-methylsulfanyloxan-4-yl)methyl]propanamide
SMILESCSC1(CNC(=O)CCc2ccc(Cl)s2)CCOCC1
InChIInChI=1S/C14H20ClNO2S2/c1-19-14(6-8-18-9-7-14)10-16-13(17)5-3-11-2-4-12(15)20-11/h2,4H,3,5-10H2,1H3,(H,16,17)
InChIKeyFGVMRZPZFGSEHO-UHFFFAOYSA-N
MW333.91 g/mol
LogP3.36
Rot. Bonds6

About 3-(5-chlorothiophen-2-yl)-N-[(4-methylsulfanyloxan-4-yl)methyl]propanamide

3-(5-chlorothiophen-2-yl)-N-[(4-methylsulfanyloxan-4-yl)methyl]propanamide (PubChem CID 71999126) has the molecular formula C14H20ClNO2S2 and a molecular weight of 333.91 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-N-[(4-methylsulfanyloxan-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-N-[(4-methylsulfanyloxan-4-yl)methyl]propanamide
PubChem CID71999126
Molecular FormulaC14H20ClNO2S2
Molecular Weight333.91 g/mol
Exact Mass333.06
IUPAC Name3-(5-chlorothiophen-2-yl)-N-[(4-methylsulfanyloxan-4-yl)methyl]propanamide
SMILESCSC1(CNC(=O)CCc2ccc(Cl)s2)CCOCC1
InChIInChI=1S/C14H20ClNO2S2/c1-19-14(6-8-18-9-7-14)10-16-13(17)5-3-11-2-4-12(15)20-11/h2,4H,3,5-10H2,1H3,(H,16,17)
InChIKeyFGVMRZPZFGSEHO-UHFFFAOYSA-N
XLogP3.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.91
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-N-[(4-methylsulfanyloxan-4-yl)methyl]propanamide?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-N-[(4-methylsulfanyloxan-4-yl)methyl]propanamide (CID 71999126) is 3-(5-chlorothiophen-2-yl)-N-[(4-methylsulfanyloxan-4-yl)methyl]propanamide.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-N-[(4-methylsulfanyloxan-4-yl)methyl]propanamide?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-N-[(4-methylsulfanyloxan-4-yl)methyl]propanamide is CSC1(CNC(=O)CCc2ccc(Cl)s2)CCOCC1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-N-[(4-methylsulfanyloxan-4-yl)methyl]propanamide?
The InChIKey is FGVMRZPZFGSEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2S2/c1-19-14(6-8-18-9-7-14)10-16-13(17)5-3-11-2-4-12(15)20-11/h2,4H,3,5-10H2,1H3,(H,16,17).
What are the key properties of 3-(5-chlorothiophen-2-yl)-N-[(4-methylsulfanyloxan-4-yl)methyl]propanamide?
3-(5-chlorothiophen-2-yl)-N-[(4-methylsulfanyloxan-4-yl)methyl]propanamide has a molecular weight of 333.91 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-N-[(4-methylsulfanyloxan-4-yl)methyl]propanamide is sourced from PubChem (CID 71999126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).