N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-1-thiophen-2-ylcyclopropane-1-carboxamide

C18H21NO3S — CID 90598067

IUPACN-[2-methoxy-2-(2-methoxyphenyl)ethyl]-1-thiophen-2-ylcyclopropane-1-carboxamide
SMILESCOc1ccccc1C(CNC(=O)C1(c2cccs2)CC1)OC
InChIInChI=1S/C18H21NO3S/c1-21-14-7-4-3-6-13(14)15(22-2)12-19-17(20)18(9-10-18)16-8-5-11-23-16/h3-8,11,15H,9-10,12H2,1-2H3,(H,19,20)
InChIKeySHYHNCNLWCIFEH-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.29
Rot. Bonds7

About N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-1-thiophen-2-ylcyclopropane-1-carboxamide

N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-1-thiophen-2-ylcyclopropane-1-carboxamide (PubChem CID 90598067) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-1-thiophen-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-2-(2-methoxyphenyl)ethyl]-1-thiophen-2-ylcyclopropane-1-carboxamide
PubChem CID90598067
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC NameN-[2-methoxy-2-(2-methoxyphenyl)ethyl]-1-thiophen-2-ylcyclopropane-1-carboxamide
SMILESCOc1ccccc1C(CNC(=O)C1(c2cccs2)CC1)OC
InChIInChI=1S/C18H21NO3S/c1-21-14-7-4-3-6-13(14)15(22-2)12-19-17(20)18(9-10-18)16-8-5-11-23-16/h3-8,11,15H,9-10,12H2,1-2H3,(H,19,20)
InChIKeySHYHNCNLWCIFEH-UHFFFAOYSA-N
XLogP3.29
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-chlorophenyl)-2-methoxyethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 90623771
N-[2-(3-fluorophenyl)-2-methoxyethyl]-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 90623022
N-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 124892579
N-[4-(2-methoxyphenoxy)but-2-ynyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 71802934
N-(2-methoxyphenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 42435562
N-[2-(2-chlorophenyl)-2-methoxyethyl]-4-(2-methoxyphenyl)oxane-4-carboxamide
CID 90623808
1-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-propan-2-ylurea
CID 90598262
N-[3-(dimethylamino)propyl]-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 110698443
1-[(4-chlorophenyl)methyl]-3-[2-methoxy-2-(2-methoxyphenyl)ethyl]urea
CID 90598282
N',N'-dimethyl-1-thiophen-2-ylcyclopropane-1-carbohydrazide
CID 116848288
1-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-prop-2-enylurea
CID 90598260
N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 122162600

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-1-thiophen-2-ylcyclopropane-1-carboxamide?
The IUPAC name of N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-1-thiophen-2-ylcyclopropane-1-carboxamide (CID 90598067) is N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-1-thiophen-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-1-thiophen-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-1-thiophen-2-ylcyclopropane-1-carboxamide is COc1ccccc1C(CNC(=O)C1(c2cccs2)CC1)OC.
What is the InChIKey of N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-1-thiophen-2-ylcyclopropane-1-carboxamide?
The InChIKey is SHYHNCNLWCIFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-21-14-7-4-3-6-13(14)15(22-2)12-19-17(20)18(9-10-18)16-8-5-11-23-16/h3-8,11,15H,9-10,12H2,1-2H3,(H,19,20).
What are the key properties of N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-1-thiophen-2-ylcyclopropane-1-carboxamide?
N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-1-thiophen-2-ylcyclopropane-1-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-1-thiophen-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 90598067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).