(1R)-2,2-dimethyl-N-(2-pyridin-4-ylethyl)-1-thiophen-2-ylcyclopropane-1-carboxamide

C17H20N2OS — CID 99972742

IUPAC(1R)-2,2-dimethyl-N-(2-pyridin-4-ylethyl)-1-thiophen-2-ylcyclopropane-1-carboxamide
SMILESCC1(C)C[C@@]1(C(=O)NCCc1ccncc1)c1cccs1
InChIInChI=1S/C17H20N2OS/c1-16(2)12-17(16,14-4-3-11-21-14)15(20)19-10-7-13-5-8-18-9-6-13/h3-6,8-9,11H,7,10,12H2,1-2H3,(H,19,20)/t17-/m0/s1
InChIKeyWOHCCJRDDWEIOL-KRWDZBQOSA-N
MW300.43 g/mol
LogP3.17
Rot. Bonds5

About (1R)-2,2-dimethyl-N-(2-pyridin-4-ylethyl)-1-thiophen-2-ylcyclopropane-1-carboxamide

(1R)-2,2-dimethyl-N-(2-pyridin-4-ylethyl)-1-thiophen-2-ylcyclopropane-1-carboxamide (PubChem CID 99972742) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is (1R)-2,2-dimethyl-N-(2-pyridin-4-ylethyl)-1-thiophen-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-2,2-dimethyl-N-(2-pyridin-4-ylethyl)-1-thiophen-2-ylcyclopropane-1-carboxamide
PubChem CID99972742
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name(1R)-2,2-dimethyl-N-(2-pyridin-4-ylethyl)-1-thiophen-2-ylcyclopropane-1-carboxamide
SMILESCC1(C)C[C@@]1(C(=O)NCCc1ccncc1)c1cccs1
InChIInChI=1S/C17H20N2OS/c1-16(2)12-17(16,14-4-3-11-21-14)15(20)19-10-7-13-5-8-18-9-6-13/h3-6,8-9,11H,7,10,12H2,1-2H3,(H,19,20)/t17-/m0/s1
InChIKeyWOHCCJRDDWEIOL-KRWDZBQOSA-N
XLogP3.17
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2,2-dimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 95227193
4-[[[(1S)-2,2-dimethyl-1-thiophen-2-ylcyclopropanecarbonyl]amino]methyl]benzamide
CID 125439628
4-methyl-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide
CID 55177553
(2R)-2-phenyl-N-(2-pyridin-4-ylethyl)spiro[2.4]heptane-2-carboxamide
CID 99970498
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 131941007
(1R)-2,2-dimethyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 125160348
N-[2-(4-aminophenyl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide;hydrochloride
CID 119548840
4-[[(1S)-2,2-dimethyl-1-thiophen-2-ylcyclopropanecarbonyl]amino]-N-ethylpiperidine-1-carboxamide
CID 95204397
(1S)-N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 125166903
2-bromo-2-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 82110489
3,3-dimethyl-N-(2-pyridin-4-ylethyl)butanamide
CID 129259489
2-pyridin-4-ylethylcarbamothioic S-acid
CID 115170339

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-dimethyl-N-(2-pyridin-4-ylethyl)-1-thiophen-2-ylcyclopropane-1-carboxamide?
The IUPAC name of (1R)-2,2-dimethyl-N-(2-pyridin-4-ylethyl)-1-thiophen-2-ylcyclopropane-1-carboxamide (CID 99972742) is (1R)-2,2-dimethyl-N-(2-pyridin-4-ylethyl)-1-thiophen-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-2,2-dimethyl-N-(2-pyridin-4-ylethyl)-1-thiophen-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for (1R)-2,2-dimethyl-N-(2-pyridin-4-ylethyl)-1-thiophen-2-ylcyclopropane-1-carboxamide is CC1(C)C[C@@]1(C(=O)NCCc1ccncc1)c1cccs1.
What is the InChIKey of (1R)-2,2-dimethyl-N-(2-pyridin-4-ylethyl)-1-thiophen-2-ylcyclopropane-1-carboxamide?
The InChIKey is WOHCCJRDDWEIOL-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-16(2)12-17(16,14-4-3-11-21-14)15(20)19-10-7-13-5-8-18-9-6-13/h3-6,8-9,11H,7,10,12H2,1-2H3,(H,19,20)/t17-/m0/s1.
What are the key properties of (1R)-2,2-dimethyl-N-(2-pyridin-4-ylethyl)-1-thiophen-2-ylcyclopropane-1-carboxamide?
(1R)-2,2-dimethyl-N-(2-pyridin-4-ylethyl)-1-thiophen-2-ylcyclopropane-1-carboxamide has a molecular weight of 300.43 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-dimethyl-N-(2-pyridin-4-ylethyl)-1-thiophen-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 99972742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).