N-ethyl-2,2,3,3-tetramethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopropane-1-carboxamide

C18H27NOS — CID 141226898

IUPACN-ethyl-2,2,3,3-tetramethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopropane-1-carboxamide
SMILESCCN(C(=O)C1C(C)(C)C1(C)C)c1cc2c(s1)CCCC2
InChIInChI=1S/C18H27NOS/c1-6-19(16(20)15-17(2,3)18(15,4)5)14-11-12-9-7-8-10-13(12)21-14/h11,15H,6-10H2,1-5H3
InChIKeyABLOXPJEQZIBGP-UHFFFAOYSA-N
MW305.49 g/mol
LogP4.66
Rot. Bonds3

About N-ethyl-2,2,3,3-tetramethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopropane-1-carboxamide

N-ethyl-2,2,3,3-tetramethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopropane-1-carboxamide (PubChem CID 141226898) has the molecular formula C18H27NOS and a molecular weight of 305.49 g/mol. Its IUPAC name is N-ethyl-2,2,3,3-tetramethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-2,2,3,3-tetramethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopropane-1-carboxamide
PubChem CID141226898
Molecular FormulaC18H27NOS
Molecular Weight305.49 g/mol
Exact Mass305.18
IUPAC NameN-ethyl-2,2,3,3-tetramethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopropane-1-carboxamide
SMILESCCN(C(=O)C1C(C)(C)C1(C)C)c1cc2c(s1)CCCC2
InChIInChI=1S/C18H27NOS/c1-6-19(16(20)15-17(2,3)18(15,4)5)14-11-12-9-7-8-10-13(12)21-14/h11,15H,6-10H2,1-5H3
InChIKeyABLOXPJEQZIBGP-UHFFFAOYSA-N
XLogP4.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-ethyl-2,2,3,3-tetramethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopropane-1-carboxamide with MolForge

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Related Compounds

N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 141226976
1-cyclopropyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone
CID 167637225
N-ethyl-N-(5-hydroxy-2-methylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66477100
bis(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 140811828
2-ethoxy-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone
CID 115782877
(3-propylphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone
CID 115812162
2-ethoxy-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanone
CID 115783007
3-ethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-one
CID 115795153
N'-propanoyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
CID 27684415
ethyl 2-[ethyl(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)amino]acetate
CID 61021147
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-propoxyphenyl)methanone
CID 114971100
N-ethyl-N-(6-methoxy-3-pyridinyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 47775400

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,3,3-tetramethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-ethyl-2,2,3,3-tetramethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopropane-1-carboxamide (CID 141226898) is N-ethyl-2,2,3,3-tetramethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-ethyl-2,2,3,3-tetramethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-ethyl-2,2,3,3-tetramethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopropane-1-carboxamide is CCN(C(=O)C1C(C)(C)C1(C)C)c1cc2c(s1)CCCC2.
What is the InChIKey of N-ethyl-2,2,3,3-tetramethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopropane-1-carboxamide?
The InChIKey is ABLOXPJEQZIBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NOS/c1-6-19(16(20)15-17(2,3)18(15,4)5)14-11-12-9-7-8-10-13(12)21-14/h11,15H,6-10H2,1-5H3.
What are the key properties of N-ethyl-2,2,3,3-tetramethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopropane-1-carboxamide?
N-ethyl-2,2,3,3-tetramethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopropane-1-carboxamide has a molecular weight of 305.49 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,3,3-tetramethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 141226898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).