2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-cyclopropylpropanamide

C12H17ClN2OS — CID 54925184

IUPAC2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-cyclopropylpropanamide
SMILESCC(NC(=O)C(C)(N)C1CC1)c1ccc(Cl)s1
InChIInChI=1S/C12H17ClN2OS/c1-7(9-5-6-10(13)17-9)15-11(16)12(2,14)8-3-4-8/h5-8H,3-4,14H2,1-2H3,(H,15,16)
InChIKeyQHMRXZVTCCKNCU-UHFFFAOYSA-N
MW272.80 g/mol
LogP2.71
Rot. Bonds4

About 2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-cyclopropylpropanamide

2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-cyclopropylpropanamide (PubChem CID 54925184) has the molecular formula C12H17ClN2OS and a molecular weight of 272.80 g/mol. Its IUPAC name is 2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-cyclopropylpropanamide.

Molecular Properties

Compound Name2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-cyclopropylpropanamide
PubChem CID54925184
Molecular FormulaC12H17ClN2OS
Molecular Weight272.80 g/mol
Exact Mass272.08
IUPAC Name2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-cyclopropylpropanamide
SMILESCC(NC(=O)C(C)(N)C1CC1)c1ccc(Cl)s1
InChIInChI=1S/C12H17ClN2OS/c1-7(9-5-6-10(13)17-9)15-11(16)12(2,14)8-3-4-8/h5-8H,3-4,14H2,1-2H3,(H,15,16)
InChIKeyQHMRXZVTCCKNCU-UHFFFAOYSA-N
XLogP2.71
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.80
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-2,2,3-trimethylbutanamide
CID 65264508
2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-cyclopropylpropanamide
CID 81354638
2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-phenylpropanamide
CID 62488935
2-amino-2-cyclopropyl-N-[(1R)-1-phenylethyl]propanamide
CID 55252127
1-[1-(5-chlorothiophen-2-yl)ethyl]-3-cyclobutylurea
CID 115617781
(2R)-2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3,3-dimethylbutanamide
CID 103928730
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]acetamide
CID 131207227
2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]cyclopropane-1-carboxamide
CID 114998144
4-[1-(5-chlorothiophen-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783143
2-amino-2-cyclopropyl-N-[1-(furan-2-yl)ethyl]propanamide
CID 60866793
methyl N-[1-(5-chlorothiophen-2-yl)ethyl]carbamate
CID 115579886
2-amino-2-cyclopropyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 60866125

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-cyclopropylpropanamide?
The IUPAC name of 2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-cyclopropylpropanamide (CID 54925184) is 2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-cyclopropylpropanamide.
What is the SMILES notation for 2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-cyclopropylpropanamide?
The canonical SMILES for 2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-cyclopropylpropanamide is CC(NC(=O)C(C)(N)C1CC1)c1ccc(Cl)s1.
What is the InChIKey of 2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-cyclopropylpropanamide?
The InChIKey is QHMRXZVTCCKNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2OS/c1-7(9-5-6-10(13)17-9)15-11(16)12(2,14)8-3-4-8/h5-8H,3-4,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-cyclopropylpropanamide?
2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-cyclopropylpropanamide has a molecular weight of 272.80 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-cyclopropylpropanamide is sourced from PubChem (CID 54925184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).