N-methyl-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide

C17H19NOS — CID 71449606

IUPACN-methyl-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide
SMILESCc1ccc(C2(C(=O)N(C)Cc3cccs3)CC2)cc1
InChIInChI=1S/C17H19NOS/c1-13-5-7-14(8-6-13)17(9-10-17)16(19)18(2)12-15-4-3-11-20-15/h3-8,11H,9-10,12H2,1-2H3
InChIKeyLDZFSHKFVOIAHF-UHFFFAOYSA-N
MW285.41 g/mol
LogP3.75
Rot. Bonds4

About N-methyl-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide

N-methyl-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 71449606) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is N-methyl-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide
PubChem CID71449606
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC NameN-methyl-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide
SMILESCc1ccc(C2(C(=O)N(C)Cc3cccs3)CC2)cc1
InChIInChI=1S/C17H19NOS/c1-13-5-7-14(8-6-13)17(9-10-17)16(19)18(2)12-15-4-3-11-20-15/h3-8,11H,9-10,12H2,1-2H3
InChIKeyLDZFSHKFVOIAHF-UHFFFAOYSA-N
XLogP3.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-methyl-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide (CID 71449606) is N-methyl-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-methyl-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-methyl-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide is Cc1ccc(C2(C(=O)N(C)Cc3cccs3)CC2)cc1.
What is the InChIKey of N-methyl-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is LDZFSHKFVOIAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-13-5-7-14(8-6-13)17(9-10-17)16(19)18(2)12-15-4-3-11-20-15/h3-8,11H,9-10,12H2,1-2H3.
What are the key properties of N-methyl-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide?
N-methyl-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 285.41 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 71449606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).