3-(5-chlorothiophen-2-yl)-N-[(2R)-2-(ethylamino)propyl]propanamide

C12H19ClN2OS — CID 120652311

IUPAC3-(5-chlorothiophen-2-yl)-N-[(2R)-2-(ethylamino)propyl]propanamide
SMILESCCN[C@H](C)CNC(=O)CCc1ccc(Cl)s1
InChIInChI=1S/C12H19ClN2OS/c1-3-14-9(2)8-15-12(16)7-5-10-4-6-11(13)17-10/h4,6,9,14H,3,5,7-8H2,1-2H3,(H,15,16)/t9-/m1/s1
InChIKeyDBXMGIZWHYCXBD-SECBINFHSA-N
MW274.82 g/mol
LogP2.45
Rot. Bonds7

About 3-(5-chlorothiophen-2-yl)-N-[(2R)-2-(ethylamino)propyl]propanamide

3-(5-chlorothiophen-2-yl)-N-[(2R)-2-(ethylamino)propyl]propanamide (PubChem CID 120652311) has the molecular formula C12H19ClN2OS and a molecular weight of 274.82 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-N-[(2R)-2-(ethylamino)propyl]propanamide.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-N-[(2R)-2-(ethylamino)propyl]propanamide
PubChem CID120652311
Molecular FormulaC12H19ClN2OS
Molecular Weight274.82 g/mol
Exact Mass274.09
IUPAC Name3-(5-chlorothiophen-2-yl)-N-[(2R)-2-(ethylamino)propyl]propanamide
SMILESCCN[C@H](C)CNC(=O)CCc1ccc(Cl)s1
InChIInChI=1S/C12H19ClN2OS/c1-3-14-9(2)8-15-12(16)7-5-10-4-6-11(13)17-10/h4,6,9,14H,3,5,7-8H2,1-2H3,(H,15,16)/t9-/m1/s1
InChIKeyDBXMGIZWHYCXBD-SECBINFHSA-N
XLogP2.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.82
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chlorothiophen-2-yl)-N-(2-methylsulfonylethyl)propanamide
CID 60545455
3-(5-chlorothiophen-2-yl)-N-(1-hydroxypropan-2-yl)propanamide
CID 78888236
4-(2,5-dichlorothiophen-3-yl)-N-[(2R)-2-(ethylamino)propyl]butanamide;hydrochloride
CID 120650802
N-[(2R)-2-(ethylamino)propyl]-3-thiophen-3-ylpropanamide
CID 120653069
3-(4-tert-butylphenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120652975
3-(5-chlorothiophen-2-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 60511690
3-(5-chlorothiophen-2-yl)-N-[(2R)-2-hydroxy-2-(oxan-4-yl)ethyl]propanamide
CID 95632333
2-(5-chlorothiophen-2-yl)-N-(2-methylpropyl)acetamide
CID 110767654
3-(2-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120654083
3-(5-chlorothiophen-2-yl)-N-(1-piperidin-1-ylpropan-2-yl)propanamide
CID 60508108
N-[2-(4-aminophenyl)ethyl]-3-(5-chlorothiophen-2-yl)propanamide
CID 119548205
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(ethylamino)butanamide
CID 62838497

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-N-[(2R)-2-(ethylamino)propyl]propanamide?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-N-[(2R)-2-(ethylamino)propyl]propanamide (CID 120652311) is 3-(5-chlorothiophen-2-yl)-N-[(2R)-2-(ethylamino)propyl]propanamide.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-N-[(2R)-2-(ethylamino)propyl]propanamide?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-N-[(2R)-2-(ethylamino)propyl]propanamide is CCN[C@H](C)CNC(=O)CCc1ccc(Cl)s1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-N-[(2R)-2-(ethylamino)propyl]propanamide?
The InChIKey is DBXMGIZWHYCXBD-SECBINFHSA-N. The full InChI is InChI=1S/C12H19ClN2OS/c1-3-14-9(2)8-15-12(16)7-5-10-4-6-11(13)17-10/h4,6,9,14H,3,5,7-8H2,1-2H3,(H,15,16)/t9-/m1/s1.
What are the key properties of 3-(5-chlorothiophen-2-yl)-N-[(2R)-2-(ethylamino)propyl]propanamide?
3-(5-chlorothiophen-2-yl)-N-[(2R)-2-(ethylamino)propyl]propanamide has a molecular weight of 274.82 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-N-[(2R)-2-(ethylamino)propyl]propanamide is sourced from PubChem (CID 120652311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).