3-(4-chlorothiophen-2-yl)-N-(2-hydroxy-2,3-dimethylpentyl)propanamide

C14H22ClNO2S — CID 111478082

IUPAC3-(4-chlorothiophen-2-yl)-N-(2-hydroxy-2,3-dimethylpentyl)propanamide
SMILESCCC(C)C(C)(O)CNC(=O)CCc1cc(Cl)cs1
InChIInChI=1S/C14H22ClNO2S/c1-4-10(2)14(3,18)9-16-13(17)6-5-12-7-11(15)8-19-12/h7-8,10,18H,4-6,9H2,1-3H3,(H,16,17)
InChIKeyIDVLFAPDPUNAED-UHFFFAOYSA-N
MW303.85 g/mol
LogP3.25
Rot. Bonds7

About 3-(4-chlorothiophen-2-yl)-N-(2-hydroxy-2,3-dimethylpentyl)propanamide

3-(4-chlorothiophen-2-yl)-N-(2-hydroxy-2,3-dimethylpentyl)propanamide (PubChem CID 111478082) has the molecular formula C14H22ClNO2S and a molecular weight of 303.85 g/mol. Its IUPAC name is 3-(4-chlorothiophen-2-yl)-N-(2-hydroxy-2,3-dimethylpentyl)propanamide.

Molecular Properties

Compound Name3-(4-chlorothiophen-2-yl)-N-(2-hydroxy-2,3-dimethylpentyl)propanamide
PubChem CID111478082
Molecular FormulaC14H22ClNO2S
Molecular Weight303.85 g/mol
Exact Mass303.11
IUPAC Name3-(4-chlorothiophen-2-yl)-N-(2-hydroxy-2,3-dimethylpentyl)propanamide
SMILESCCC(C)C(C)(O)CNC(=O)CCc1cc(Cl)cs1
InChIInChI=1S/C14H22ClNO2S/c1-4-10(2)14(3,18)9-16-13(17)6-5-12-7-11(15)8-19-12/h7-8,10,18H,4-6,9H2,1-3H3,(H,16,17)
InChIKeyIDVLFAPDPUNAED-UHFFFAOYSA-N
XLogP3.25
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.85
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorothiophen-2-yl)-N-(2-hydroxy-2,3-dimethylpentyl)propanamide?
The IUPAC name of 3-(4-chlorothiophen-2-yl)-N-(2-hydroxy-2,3-dimethylpentyl)propanamide (CID 111478082) is 3-(4-chlorothiophen-2-yl)-N-(2-hydroxy-2,3-dimethylpentyl)propanamide.
What is the SMILES notation for 3-(4-chlorothiophen-2-yl)-N-(2-hydroxy-2,3-dimethylpentyl)propanamide?
The canonical SMILES for 3-(4-chlorothiophen-2-yl)-N-(2-hydroxy-2,3-dimethylpentyl)propanamide is CCC(C)C(C)(O)CNC(=O)CCc1cc(Cl)cs1.
What is the InChIKey of 3-(4-chlorothiophen-2-yl)-N-(2-hydroxy-2,3-dimethylpentyl)propanamide?
The InChIKey is IDVLFAPDPUNAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2S/c1-4-10(2)14(3,18)9-16-13(17)6-5-12-7-11(15)8-19-12/h7-8,10,18H,4-6,9H2,1-3H3,(H,16,17).
What are the key properties of 3-(4-chlorothiophen-2-yl)-N-(2-hydroxy-2,3-dimethylpentyl)propanamide?
3-(4-chlorothiophen-2-yl)-N-(2-hydroxy-2,3-dimethylpentyl)propanamide has a molecular weight of 303.85 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorothiophen-2-yl)-N-(2-hydroxy-2,3-dimethylpentyl)propanamide is sourced from PubChem (CID 111478082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).