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

C15H27ClN2OS — CID 120652846

IUPAC4-(2,5-dimethylthiophen-3-yl)-N-[(2R)-2-(ethylamino)propyl]butanamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)CCCc1cc(C)sc1C.Cl
InChIInChI=1S/C15H26N2OS.ClH/c1-5-16-11(2)10-17-15(18)8-6-7-14-9-12(3)19-13(14)4;/h9,11,16H,5-8,10H2,1-4H3,(H,17,18);1H/t11-;/m1./s1
InChIKeyGPVGQUQXSOADDX-RFVHGSKJSA-N
MW318.91 g/mol
LogP3.22
Rot. Bonds8

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

4-(2,5-dimethylthiophen-3-yl)-N-[(2R)-2-(ethylamino)propyl]butanamide;hydrochloride (PubChem CID 120652846) has the molecular formula C15H27ClN2OS and a molecular weight of 318.91 g/mol. Its IUPAC name is 4-(2,5-dimethylthiophen-3-yl)-N-[(2R)-2-(ethylamino)propyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-(2,5-dimethylthiophen-3-yl)-N-[(2R)-2-(ethylamino)propyl]butanamide;hydrochloride
PubChem CID120652846
Molecular FormulaC15H27ClN2OS
Molecular Weight318.91 g/mol
Exact Mass318.15
IUPAC Name4-(2,5-dimethylthiophen-3-yl)-N-[(2R)-2-(ethylamino)propyl]butanamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)CCCc1cc(C)sc1C.Cl
InChIInChI=1S/C15H26N2OS.ClH/c1-5-16-11(2)10-17-15(18)8-6-7-14-9-12(3)19-13(14)4;/h9,11,16H,5-8,10H2,1-4H3,(H,17,18);1H/t11-;/m1./s1
InChIKeyGPVGQUQXSOADDX-RFVHGSKJSA-N
XLogP3.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.91
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(2,5-dimethylthiophen-3-yl)-N-[(2R)-2-(ethylamino)propyl]butanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,5-dichlorothiophen-3-yl)-N-[(2R)-2-(ethylamino)propyl]butanamide;hydrochloride
CID 120650802
N-(2-amino-2-phenylethyl)-4-(2,5-dimethylthiophen-3-yl)butanamide;hydrochloride
CID 119529711
N-(3-aminobutyl)-4-(2,5-dimethylthiophen-3-yl)butanamide
CID 119499768
4-(2,5-dimethylthiophen-3-yl)-N-(3-hydroxy-4-methylpentyl)butanamide
CID 111970464
(2S)-2-[[2-[4-(2,5-dimethylthiophen-3-yl)butanoylamino]acetyl]amino]-4-methylpentanoic acid
CID 120695178
(2S)-2-[4-(2,5-dimethylthiophen-3-yl)butanoylamino]-3-methylbutanoic acid
CID 119359559
(2R)-2-[4-(2,5-dimethylthiophen-3-yl)butanoylamino]-4-methylpentanoic acid
CID 119363271
N-[(2R)-2-(ethylamino)propyl]-5-(4-methylphenyl)pentanamide
CID 120651415
4-(2,5-dimethylthiophen-3-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride
CID 119514853
N-[(2R)-2-(ethylamino)propyl]-4-(4-methoxyphenyl)butanamide
CID 120652211
N-[(2R)-2-(ethylamino)propyl]-4-methylpentanamide;hydrochloride
CID 120650462
4-(2,5-dimethylthiophen-3-yl)-N-(3-piperazin-1-ylpropyl)butanamide
CID 119394631

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylthiophen-3-yl)-N-[(2R)-2-(ethylamino)propyl]butanamide;hydrochloride?
The IUPAC name of 4-(2,5-dimethylthiophen-3-yl)-N-[(2R)-2-(ethylamino)propyl]butanamide;hydrochloride (CID 120652846) is 4-(2,5-dimethylthiophen-3-yl)-N-[(2R)-2-(ethylamino)propyl]butanamide;hydrochloride.
What is the SMILES notation for 4-(2,5-dimethylthiophen-3-yl)-N-[(2R)-2-(ethylamino)propyl]butanamide;hydrochloride?
The canonical SMILES for 4-(2,5-dimethylthiophen-3-yl)-N-[(2R)-2-(ethylamino)propyl]butanamide;hydrochloride is CCN[C@H](C)CNC(=O)CCCc1cc(C)sc1C.Cl.
What is the InChIKey of 4-(2,5-dimethylthiophen-3-yl)-N-[(2R)-2-(ethylamino)propyl]butanamide;hydrochloride?
The InChIKey is GPVGQUQXSOADDX-RFVHGSKJSA-N. The full InChI is InChI=1S/C15H26N2OS.ClH/c1-5-16-11(2)10-17-15(18)8-6-7-14-9-12(3)19-13(14)4;/h9,11,16H,5-8,10H2,1-4H3,(H,17,18);1H/t11-;/m1./s1.
What are the key properties of 4-(2,5-dimethylthiophen-3-yl)-N-[(2R)-2-(ethylamino)propyl]butanamide;hydrochloride?
4-(2,5-dimethylthiophen-3-yl)-N-[(2R)-2-(ethylamino)propyl]butanamide;hydrochloride has a molecular weight of 318.91 g/mol, XLogP of 3.22, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylthiophen-3-yl)-N-[(2R)-2-(ethylamino)propyl]butanamide;hydrochloride is sourced from PubChem (CID 120652846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).