N-cyclopropyl-2,5-dimethyl-N-(thiophen-2-ylmethyl)thiophene-3-carboxamide

C15H17NOS2 — CID 134004531

IUPACN-cyclopropyl-2,5-dimethyl-N-(thiophen-2-ylmethyl)thiophene-3-carboxamide
SMILESCc1cc(C(=O)N(Cc2cccs2)C2CC2)c(C)s1
InChIInChI=1S/C15H17NOS2/c1-10-8-14(11(2)19-10)15(17)16(12-5-6-12)9-13-4-3-7-18-13/h3-4,7-8,12H,5-6,9H2,1-2H3
InChIKeyRUSKXEMWVMIKOG-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.23
Rot. Bonds4

About N-cyclopropyl-2,5-dimethyl-N-(thiophen-2-ylmethyl)thiophene-3-carboxamide

N-cyclopropyl-2,5-dimethyl-N-(thiophen-2-ylmethyl)thiophene-3-carboxamide (PubChem CID 134004531) has the molecular formula C15H17NOS2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-cyclopropyl-2,5-dimethyl-N-(thiophen-2-ylmethyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2,5-dimethyl-N-(thiophen-2-ylmethyl)thiophene-3-carboxamide
PubChem CID134004531
Molecular FormulaC15H17NOS2
Molecular Weight291.44 g/mol
Exact Mass291.08
IUPAC NameN-cyclopropyl-2,5-dimethyl-N-(thiophen-2-ylmethyl)thiophene-3-carboxamide
SMILESCc1cc(C(=O)N(Cc2cccs2)C2CC2)c(C)s1
InChIInChI=1S/C15H17NOS2/c1-10-8-14(11(2)19-10)15(17)16(12-5-6-12)9-13-4-3-7-18-13/h3-4,7-8,12H,5-6,9H2,1-2H3
InChIKeyRUSKXEMWVMIKOG-UHFFFAOYSA-N
XLogP4.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-hydroxy-2-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 82795082
5-amino-N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 61107609
2,5-dimethyl-N-(thiophen-2-ylmethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 71866467
4-bromo-N-cyclopropyl-2-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 78987908
5-chloro-N-cyclopropyl-2-hydrazinyl-N-(thiophen-2-ylmethyl)benzamide
CID 62242599
N-cyclopropyl-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 47024128
3-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
CID 51889465
N-cyclopropyl-6-oxo-N-(thiophen-2-ylmethyl)-1H-pyridine-2-carboxamide
CID 107261690
N-cyclopropyl-3-sulfanyl-N-(thiophen-2-ylmethyl)benzamide
CID 107024795
N-cyclopropyl-3-fluoro-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 115645728
N-cyclopropyl-4-methyl-3-pyrrol-1-yl-N-(thiophen-2-ylmethyl)benzamide
CID 37484000
4-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-5-methylthiophene-2-carboxylic acid
CID 80730218

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,5-dimethyl-N-(thiophen-2-ylmethyl)thiophene-3-carboxamide?
The IUPAC name of N-cyclopropyl-2,5-dimethyl-N-(thiophen-2-ylmethyl)thiophene-3-carboxamide (CID 134004531) is N-cyclopropyl-2,5-dimethyl-N-(thiophen-2-ylmethyl)thiophene-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-2,5-dimethyl-N-(thiophen-2-ylmethyl)thiophene-3-carboxamide?
The canonical SMILES for N-cyclopropyl-2,5-dimethyl-N-(thiophen-2-ylmethyl)thiophene-3-carboxamide is Cc1cc(C(=O)N(Cc2cccs2)C2CC2)c(C)s1.
What is the InChIKey of N-cyclopropyl-2,5-dimethyl-N-(thiophen-2-ylmethyl)thiophene-3-carboxamide?
The InChIKey is RUSKXEMWVMIKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS2/c1-10-8-14(11(2)19-10)15(17)16(12-5-6-12)9-13-4-3-7-18-13/h3-4,7-8,12H,5-6,9H2,1-2H3.
What are the key properties of N-cyclopropyl-2,5-dimethyl-N-(thiophen-2-ylmethyl)thiophene-3-carboxamide?
N-cyclopropyl-2,5-dimethyl-N-(thiophen-2-ylmethyl)thiophene-3-carboxamide has a molecular weight of 291.44 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,5-dimethyl-N-(thiophen-2-ylmethyl)thiophene-3-carboxamide is sourced from PubChem (CID 134004531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).