N,N,4-trimethyl-3-(5-propan-2-ylthiophen-2-yl)pentanamide

C15H25NOS — CID 58499236

IUPACN,N,4-trimethyl-3-(5-propan-2-ylthiophen-2-yl)pentanamide
SMILESCC(C)c1ccc(C(CC(=O)N(C)C)C(C)C)s1
InChIInChI=1S/C15H25NOS/c1-10(2)12(9-15(17)16(5)6)14-8-7-13(18-14)11(3)4/h7-8,10-12H,9H2,1-6H3
InChIKeyICTJLSOJEMBFPI-UHFFFAOYSA-N
MW267.44 g/mol
LogP4.09
Rot. Bonds5

About N,N,4-trimethyl-3-(5-propan-2-ylthiophen-2-yl)pentanamide

N,N,4-trimethyl-3-(5-propan-2-ylthiophen-2-yl)pentanamide (PubChem CID 58499236) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is N,N,4-trimethyl-3-(5-propan-2-ylthiophen-2-yl)pentanamide.

Molecular Properties

Compound NameN,N,4-trimethyl-3-(5-propan-2-ylthiophen-2-yl)pentanamide
PubChem CID58499236
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC NameN,N,4-trimethyl-3-(5-propan-2-ylthiophen-2-yl)pentanamide
SMILESCC(C)c1ccc(C(CC(=O)N(C)C)C(C)C)s1
InChIInChI=1S/C15H25NOS/c1-10(2)12(9-15(17)16(5)6)14-8-7-13(18-14)11(3)4/h7-8,10-12H,9H2,1-6H3
InChIKeyICTJLSOJEMBFPI-UHFFFAOYSA-N
XLogP4.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-3-(5-propan-2-ylthiophen-2-yl)pentanamide?
The IUPAC name of N,N,4-trimethyl-3-(5-propan-2-ylthiophen-2-yl)pentanamide (CID 58499236) is N,N,4-trimethyl-3-(5-propan-2-ylthiophen-2-yl)pentanamide.
What is the SMILES notation for N,N,4-trimethyl-3-(5-propan-2-ylthiophen-2-yl)pentanamide?
The canonical SMILES for N,N,4-trimethyl-3-(5-propan-2-ylthiophen-2-yl)pentanamide is CC(C)c1ccc(C(CC(=O)N(C)C)C(C)C)s1.
What is the InChIKey of N,N,4-trimethyl-3-(5-propan-2-ylthiophen-2-yl)pentanamide?
The InChIKey is ICTJLSOJEMBFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-10(2)12(9-15(17)16(5)6)14-8-7-13(18-14)11(3)4/h7-8,10-12H,9H2,1-6H3.
What are the key properties of N,N,4-trimethyl-3-(5-propan-2-ylthiophen-2-yl)pentanamide?
N,N,4-trimethyl-3-(5-propan-2-ylthiophen-2-yl)pentanamide has a molecular weight of 267.44 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-3-(5-propan-2-ylthiophen-2-yl)pentanamide is sourced from PubChem (CID 58499236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).