N-(3-amino-2,2-dimethylpropyl)-3-chloro-N-ethylthiophene-2-carboxamide

C12H19ClN2OS — CID 80641264

IUPACN-(3-amino-2,2-dimethylpropyl)-3-chloro-N-ethylthiophene-2-carboxamide
SMILESCCN(CC(C)(C)CN)C(=O)c1sccc1Cl
InChIInChI=1S/C12H19ClN2OS/c1-4-15(8-12(2,3)7-14)11(16)10-9(13)5-6-17-10/h5-6H,4,7-8,14H2,1-3H3
InChIKeyNLPRYCWEINVSTK-UHFFFAOYSA-N
MW274.82 g/mol
LogP2.85
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-3-chloro-N-ethylthiophene-2-carboxamide

N-(3-amino-2,2-dimethylpropyl)-3-chloro-N-ethylthiophene-2-carboxamide (PubChem CID 80641264) has the molecular formula C12H19ClN2OS and a molecular weight of 274.82 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-3-chloro-N-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-3-chloro-N-ethylthiophene-2-carboxamide
PubChem CID80641264
Molecular FormulaC12H19ClN2OS
Molecular Weight274.82 g/mol
Exact Mass274.09
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-3-chloro-N-ethylthiophene-2-carboxamide
SMILESCCN(CC(C)(C)CN)C(=O)c1sccc1Cl
InChIInChI=1S/C12H19ClN2OS/c1-4-15(8-12(2,3)7-14)11(16)10-9(13)5-6-17-10/h5-6H,4,7-8,14H2,1-3H3
InChIKeyNLPRYCWEINVSTK-UHFFFAOYSA-N
XLogP2.85
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.82
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 79668481
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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-3-chloro-N-ethylthiophene-2-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-3-chloro-N-ethylthiophene-2-carboxamide (CID 80641264) is N-(3-amino-2,2-dimethylpropyl)-3-chloro-N-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-3-chloro-N-ethylthiophene-2-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-3-chloro-N-ethylthiophene-2-carboxamide is CCN(CC(C)(C)CN)C(=O)c1sccc1Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-3-chloro-N-ethylthiophene-2-carboxamide?
The InChIKey is NLPRYCWEINVSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2OS/c1-4-15(8-12(2,3)7-14)11(16)10-9(13)5-6-17-10/h5-6H,4,7-8,14H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-3-chloro-N-ethylthiophene-2-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-3-chloro-N-ethylthiophene-2-carboxamide has a molecular weight of 274.82 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-3-chloro-N-ethylthiophene-2-carboxamide is sourced from PubChem (CID 80641264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).