N,N,4-trimethyl-5-phenylthiophene-2-carboxamide

C14H15NOS — CID 821953

IUPACN,N,4-trimethyl-5-phenylthiophene-2-carboxamide
SMILESCc1cc(C(=O)N(C)C)sc1-c1ccccc1
InChIInChI=1S/C14H15NOS/c1-10-9-12(14(16)15(2)3)17-13(10)11-7-5-4-6-8-11/h4-9H,1-3H3
InChIKeyIEFVJIRGOQHYME-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.43
Rot. Bonds2

About N,N,4-trimethyl-5-phenylthiophene-2-carboxamide

N,N,4-trimethyl-5-phenylthiophene-2-carboxamide (PubChem CID 821953) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is N,N,4-trimethyl-5-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN,N,4-trimethyl-5-phenylthiophene-2-carboxamide
PubChem CID821953
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC NameN,N,4-trimethyl-5-phenylthiophene-2-carboxamide
SMILESCc1cc(C(=O)N(C)C)sc1-c1ccccc1
InChIInChI=1S/C14H15NOS/c1-10-9-12(14(16)15(2)3)17-13(10)11-7-5-4-6-8-11/h4-9H,1-3H3
InChIKeyIEFVJIRGOQHYME-UHFFFAOYSA-N
XLogP3.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.43
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-5-phenylthiophene-2-carboxamide?
The IUPAC name of N,N,4-trimethyl-5-phenylthiophene-2-carboxamide (CID 821953) is N,N,4-trimethyl-5-phenylthiophene-2-carboxamide.
What is the SMILES notation for N,N,4-trimethyl-5-phenylthiophene-2-carboxamide?
The canonical SMILES for N,N,4-trimethyl-5-phenylthiophene-2-carboxamide is Cc1cc(C(=O)N(C)C)sc1-c1ccccc1.
What is the InChIKey of N,N,4-trimethyl-5-phenylthiophene-2-carboxamide?
The InChIKey is IEFVJIRGOQHYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c1-10-9-12(14(16)15(2)3)17-13(10)11-7-5-4-6-8-11/h4-9H,1-3H3.
What are the key properties of N,N,4-trimethyl-5-phenylthiophene-2-carboxamide?
N,N,4-trimethyl-5-phenylthiophene-2-carboxamide has a molecular weight of 245.35 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-5-phenylthiophene-2-carboxamide is sourced from PubChem (CID 821953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).