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

C15H23ClN2O2S — CID 39912519

IUPAC3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(2-methyl-4-oxopentan-2-yl)propanamide
SMILESCC(=O)CC(C)(C)NC(=O)CCN(C)Cc1ccc(Cl)s1
InChIInChI=1S/C15H23ClN2O2S/c1-11(19)9-15(2,3)17-14(20)7-8-18(4)10-12-5-6-13(16)21-12/h5-6H,7-10H2,1-4H3,(H,17,20)
InChIKeyDKQGTGCRMBHVSH-UHFFFAOYSA-N
MW330.88 g/mol
LogP3.10
Rot. Bonds8

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

3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(2-methyl-4-oxopentan-2-yl)propanamide (PubChem CID 39912519) has the molecular formula C15H23ClN2O2S and a molecular weight of 330.88 g/mol. Its IUPAC name is 3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(2-methyl-4-oxopentan-2-yl)propanamide.

Molecular Properties

Compound Name3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(2-methyl-4-oxopentan-2-yl)propanamide
PubChem CID39912519
Molecular FormulaC15H23ClN2O2S
Molecular Weight330.88 g/mol
Exact Mass330.12
IUPAC Name3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(2-methyl-4-oxopentan-2-yl)propanamide
SMILESCC(=O)CC(C)(C)NC(=O)CCN(C)Cc1ccc(Cl)s1
InChIInChI=1S/C15H23ClN2O2S/c1-11(19)9-15(2,3)17-14(20)7-8-18(4)10-12-5-6-13(16)21-12/h5-6H,7-10H2,1-4H3,(H,17,20)
InChIKeyDKQGTGCRMBHVSH-UHFFFAOYSA-N
XLogP3.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 53.10
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)methyl-methylamino]-N-(2-methyl-4-oxopentan-2-yl)propanamide?
The IUPAC name of 3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(2-methyl-4-oxopentan-2-yl)propanamide (CID 39912519) is 3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(2-methyl-4-oxopentan-2-yl)propanamide.
What is the SMILES notation for 3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(2-methyl-4-oxopentan-2-yl)propanamide?
The canonical SMILES for 3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(2-methyl-4-oxopentan-2-yl)propanamide is CC(=O)CC(C)(C)NC(=O)CCN(C)Cc1ccc(Cl)s1.
What is the InChIKey of 3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(2-methyl-4-oxopentan-2-yl)propanamide?
The InChIKey is DKQGTGCRMBHVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2S/c1-11(19)9-15(2,3)17-14(20)7-8-18(4)10-12-5-6-13(16)21-12/h5-6H,7-10H2,1-4H3,(H,17,20).
What are the key properties of 3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(2-methyl-4-oxopentan-2-yl)propanamide?
3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(2-methyl-4-oxopentan-2-yl)propanamide has a molecular weight of 330.88 g/mol, XLogP of 3.10, 8 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)methyl-methylamino]-N-(2-methyl-4-oxopentan-2-yl)propanamide is sourced from PubChem (CID 39912519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).