N-(4-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide

C15H17ClN2OS — CID 4882299

IUPACN-(4-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide
SMILESCC(C(=O)Nc1ccc(Cl)cc1)N(C)Cc1cccs1
InChIInChI=1S/C15H17ClN2OS/c1-11(18(2)10-14-4-3-9-20-14)15(19)17-13-7-5-12(16)6-8-13/h3-9,11H,10H2,1-2H3,(H,17,19)
InChIKeyOXWACPHCWQPXQX-UHFFFAOYSA-N
MW308.83 g/mol
LogP3.86
Rot. Bonds5

About N-(4-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide

N-(4-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide (PubChem CID 4882299) has the molecular formula C15H17ClN2OS and a molecular weight of 308.83 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide
PubChem CID4882299
Molecular FormulaC15H17ClN2OS
Molecular Weight308.83 g/mol
Exact Mass308.08
IUPAC NameN-(4-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide
SMILESCC(C(=O)Nc1ccc(Cl)cc1)N(C)Cc1cccs1
InChIInChI=1S/C15H17ClN2OS/c1-11(18(2)10-14-4-3-9-20-14)15(19)17-13-7-5-12(16)6-8-13/h3-9,11H,10H2,1-2H3,(H,17,19)
InChIKeyOXWACPHCWQPXQX-UHFFFAOYSA-N
XLogP3.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.83
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide?
The IUPAC name of N-(4-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide (CID 4882299) is N-(4-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide is CC(C(=O)Nc1ccc(Cl)cc1)N(C)Cc1cccs1.
What is the InChIKey of N-(4-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide?
The InChIKey is OXWACPHCWQPXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2OS/c1-11(18(2)10-14-4-3-9-20-14)15(19)17-13-7-5-12(16)6-8-13/h3-9,11H,10H2,1-2H3,(H,17,19).
What are the key properties of N-(4-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide?
N-(4-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide has a molecular weight of 308.83 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide is sourced from PubChem (CID 4882299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).