N-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]-N-cyclopropyl-2-methylcyclopropane-1-carboxamide

C19H20ClNOS — CID 42953196

IUPACN-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]-N-cyclopropyl-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)N(Cc1ccc(-c2ccccc2Cl)s1)C1CC1
InChIInChI=1S/C19H20ClNOS/c1-12-10-16(12)19(22)21(13-6-7-13)11-14-8-9-18(23-14)15-4-2-3-5-17(15)20/h2-5,8-9,12-13,16H,6-7,10-11H2,1H3
InChIKeyMCCLOCZCUOLHDD-UHFFFAOYSA-N
MW345.90 g/mol
LogP5.22
Rot. Bonds5

About N-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]-N-cyclopropyl-2-methylcyclopropane-1-carboxamide

N-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]-N-cyclopropyl-2-methylcyclopropane-1-carboxamide (PubChem CID 42953196) has the molecular formula C19H20ClNOS and a molecular weight of 345.90 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]-N-cyclopropyl-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]-N-cyclopropyl-2-methylcyclopropane-1-carboxamide
PubChem CID42953196
Molecular FormulaC19H20ClNOS
Molecular Weight345.90 g/mol
Exact Mass345.10
IUPAC NameN-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]-N-cyclopropyl-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)N(Cc1ccc(-c2ccccc2Cl)s1)C1CC1
InChIInChI=1S/C19H20ClNOS/c1-12-10-16(12)19(22)21(13-6-7-13)11-14-8-9-18(23-14)15-4-2-3-5-17(15)20/h2-5,8-9,12-13,16H,6-7,10-11H2,1H3
InChIKeyMCCLOCZCUOLHDD-UHFFFAOYSA-N
XLogP5.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.90
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]-N-cyclopropyl-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]-N-cyclopropyl-2-methylcyclopropane-1-carboxamide (CID 42953196) is N-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]-N-cyclopropyl-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]-N-cyclopropyl-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]-N-cyclopropyl-2-methylcyclopropane-1-carboxamide is CC1CC1C(=O)N(Cc1ccc(-c2ccccc2Cl)s1)C1CC1.
What is the InChIKey of N-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]-N-cyclopropyl-2-methylcyclopropane-1-carboxamide?
The InChIKey is MCCLOCZCUOLHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNOS/c1-12-10-16(12)19(22)21(13-6-7-13)11-14-8-9-18(23-14)15-4-2-3-5-17(15)20/h2-5,8-9,12-13,16H,6-7,10-11H2,1H3.
What are the key properties of N-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]-N-cyclopropyl-2-methylcyclopropane-1-carboxamide?
N-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]-N-cyclopropyl-2-methylcyclopropane-1-carboxamide has a molecular weight of 345.90 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]-N-cyclopropyl-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 42953196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).