N-(1-cyclopropylethyl)-N,5-dimethylthiophene-2-carboxamide

C12H17NOS — CID 42942387

IUPACN-(1-cyclopropylethyl)-N,5-dimethylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)N(C)C(C)C2CC2)s1
InChIInChI=1S/C12H17NOS/c1-8-4-7-11(15-8)12(14)13(3)9(2)10-5-6-10/h4,7,9-10H,5-6H2,1-3H3
InChIKeyPWPXOHKFSBNJNB-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.93
Rot. Bonds3

About N-(1-cyclopropylethyl)-N,5-dimethylthiophene-2-carboxamide

N-(1-cyclopropylethyl)-N,5-dimethylthiophene-2-carboxamide (PubChem CID 42942387) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-N,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-N,5-dimethylthiophene-2-carboxamide
PubChem CID42942387
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC NameN-(1-cyclopropylethyl)-N,5-dimethylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)N(C)C(C)C2CC2)s1
InChIInChI=1S/C12H17NOS/c1-8-4-7-11(15-8)12(14)13(3)9(2)10-5-6-10/h4,7,9-10H,5-6H2,1-3H3
InChIKeyPWPXOHKFSBNJNB-UHFFFAOYSA-N
XLogP2.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-N,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-(1-cyclopropylethyl)-N,5-dimethylthiophene-2-carboxamide (CID 42942387) is N-(1-cyclopropylethyl)-N,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-N,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-(1-cyclopropylethyl)-N,5-dimethylthiophene-2-carboxamide is Cc1ccc(C(=O)N(C)C(C)C2CC2)s1.
What is the InChIKey of N-(1-cyclopropylethyl)-N,5-dimethylthiophene-2-carboxamide?
The InChIKey is PWPXOHKFSBNJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-8-4-7-11(15-8)12(14)13(3)9(2)10-5-6-10/h4,7,9-10H,5-6H2,1-3H3.
What are the key properties of N-(1-cyclopropylethyl)-N,5-dimethylthiophene-2-carboxamide?
N-(1-cyclopropylethyl)-N,5-dimethylthiophene-2-carboxamide has a molecular weight of 223.34 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-N,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 42942387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).