4-(2,5-dichlorothiophen-3-yl)-N-[(2R)-2-(ethylamino)propyl]butanamide;hydrochloride

C13H21Cl3N2OS — CID 120650802

IUPAC4-(2,5-dichlorothiophen-3-yl)-N-[(2R)-2-(ethylamino)propyl]butanamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)CCCc1cc(Cl)sc1Cl.Cl
InChIInChI=1S/C13H20Cl2N2OS.ClH/c1-3-16-9(2)8-17-12(18)6-4-5-10-7-11(14)19-13(10)15;/h7,9,16H,3-6,8H2,1-2H3,(H,17,18);1H/t9-;/m1./s1
InChIKeyLVQCUKDHWNYEQZ-SBSPUUFOSA-N
MW359.75 g/mol
LogP3.91
Rot. Bonds8

About 4-(2,5-dichlorothiophen-3-yl)-N-[(2R)-2-(ethylamino)propyl]butanamide;hydrochloride

4-(2,5-dichlorothiophen-3-yl)-N-[(2R)-2-(ethylamino)propyl]butanamide;hydrochloride (PubChem CID 120650802) has the molecular formula C13H21Cl3N2OS and a molecular weight of 359.75 g/mol. Its IUPAC name is 4-(2,5-dichlorothiophen-3-yl)-N-[(2R)-2-(ethylamino)propyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-(2,5-dichlorothiophen-3-yl)-N-[(2R)-2-(ethylamino)propyl]butanamide;hydrochloride
PubChem CID120650802
Molecular FormulaC13H21Cl3N2OS
Molecular Weight359.75 g/mol
Exact Mass358.04
IUPAC Name4-(2,5-dichlorothiophen-3-yl)-N-[(2R)-2-(ethylamino)propyl]butanamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)CCCc1cc(Cl)sc1Cl.Cl
InChIInChI=1S/C13H20Cl2N2OS.ClH/c1-3-16-9(2)8-17-12(18)6-4-5-10-7-11(14)19-13(10)15;/h7,9,16H,3-6,8H2,1-2H3,(H,17,18);1H/t9-;/m1./s1
InChIKeyLVQCUKDHWNYEQZ-SBSPUUFOSA-N
XLogP3.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.75
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,5-dimethylthiophen-3-yl)-N-[(2R)-2-(ethylamino)propyl]butanamide;hydrochloride
CID 120652846
3-(5-chlorothiophen-2-yl)-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120652311
(2R)-2-[4-(2,5-dichlorothiophen-3-yl)butanoylamino]-3-methylbutanoic acid
CID 119368098
4-(2,5-dichlorothiophen-3-yl)-N-methylsulfonylbutanamide
CID 71971792
2-(2,6-dichlorophenyl)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride
CID 120653936
4-(4-chloro-3-methylphenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
CID 120650627
N-[(2R)-2-(ethylamino)propyl]-4-(4-methoxyphenyl)butanamide
CID 120652211
N-[(2R)-2-(ethylamino)propyl]-4-methylpentanamide;hydrochloride
CID 120650462
N-[(2R)-2-(ethylamino)propyl]-5-(4-methylphenyl)pentanamide
CID 120651415
N-[(2R)-2-(ethylamino)propyl]-2-(2,4,5-trichlorophenoxy)acetamide;hydrochloride
CID 120653226
N-[(2R)-2-(ethylamino)propyl]-4-phenoxybutanamide;hydrochloride
CID 120651118
4-(2-chlorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
CID 120654441

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorothiophen-3-yl)-N-[(2R)-2-(ethylamino)propyl]butanamide;hydrochloride?
The IUPAC name of 4-(2,5-dichlorothiophen-3-yl)-N-[(2R)-2-(ethylamino)propyl]butanamide;hydrochloride (CID 120650802) is 4-(2,5-dichlorothiophen-3-yl)-N-[(2R)-2-(ethylamino)propyl]butanamide;hydrochloride.
What is the SMILES notation for 4-(2,5-dichlorothiophen-3-yl)-N-[(2R)-2-(ethylamino)propyl]butanamide;hydrochloride?
The canonical SMILES for 4-(2,5-dichlorothiophen-3-yl)-N-[(2R)-2-(ethylamino)propyl]butanamide;hydrochloride is CCN[C@H](C)CNC(=O)CCCc1cc(Cl)sc1Cl.Cl.
What is the InChIKey of 4-(2,5-dichlorothiophen-3-yl)-N-[(2R)-2-(ethylamino)propyl]butanamide;hydrochloride?
The InChIKey is LVQCUKDHWNYEQZ-SBSPUUFOSA-N. The full InChI is InChI=1S/C13H20Cl2N2OS.ClH/c1-3-16-9(2)8-17-12(18)6-4-5-10-7-11(14)19-13(10)15;/h7,9,16H,3-6,8H2,1-2H3,(H,17,18);1H/t9-;/m1./s1.
What are the key properties of 4-(2,5-dichlorothiophen-3-yl)-N-[(2R)-2-(ethylamino)propyl]butanamide;hydrochloride?
4-(2,5-dichlorothiophen-3-yl)-N-[(2R)-2-(ethylamino)propyl]butanamide;hydrochloride has a molecular weight of 359.75 g/mol, XLogP of 3.91, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichlorothiophen-3-yl)-N-[(2R)-2-(ethylamino)propyl]butanamide;hydrochloride is sourced from PubChem (CID 120650802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).