4-(1-benzothiophen-3-yl)-N-[3-(methylamino)propyl]butanamide;hydrochloride

C16H23ClN2OS — CID 119433107

IUPAC4-(1-benzothiophen-3-yl)-N-[3-(methylamino)propyl]butanamide;hydrochloride
SMILESCNCCCNC(=O)CCCc1csc2ccccc12.Cl
InChIInChI=1S/C16H22N2OS.ClH/c1-17-10-5-11-18-16(19)9-4-6-13-12-20-15-8-3-2-7-14(13)15;/h2-3,7-8,12,17H,4-6,9-11H2,1H3,(H,18,19);1H
InChIKeyKMMPKUORCIINDN-UHFFFAOYSA-N
MW326.89 g/mol
LogP3.37
Rot. Bonds8

About 4-(1-benzothiophen-3-yl)-N-[3-(methylamino)propyl]butanamide;hydrochloride

4-(1-benzothiophen-3-yl)-N-[3-(methylamino)propyl]butanamide;hydrochloride (PubChem CID 119433107) has the molecular formula C16H23ClN2OS and a molecular weight of 326.89 g/mol. Its IUPAC name is 4-(1-benzothiophen-3-yl)-N-[3-(methylamino)propyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-(1-benzothiophen-3-yl)-N-[3-(methylamino)propyl]butanamide;hydrochloride
PubChem CID119433107
Molecular FormulaC16H23ClN2OS
Molecular Weight326.89 g/mol
Exact Mass326.12
IUPAC Name4-(1-benzothiophen-3-yl)-N-[3-(methylamino)propyl]butanamide;hydrochloride
SMILESCNCCCNC(=O)CCCc1csc2ccccc12.Cl
InChIInChI=1S/C16H22N2OS.ClH/c1-17-10-5-11-18-16(19)9-4-6-13-12-20-15-8-3-2-7-14(13)15;/h2-3,7-8,12,17H,4-6,9-11H2,1H3,(H,18,19);1H
InChIKeyKMMPKUORCIINDN-UHFFFAOYSA-N
XLogP3.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.89
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-methylpropyl)-4-(1-benzothiophen-3-yl)butanamide;hydrochloride
CID 119629500
N-[2-(1-benzothiophen-3-yl)ethyl]-3-hydroxypropanamide
CID 115139367
N-[3-(methylamino)propyl]-1-benzothiophene-3-carboxamide
CID 55012748
N-[2-(1-benzothiophen-3-yl)ethyl]-4-(4-fluorophenoxy)butanamide
CID 112837134
N-[2-(1-benzothiophen-3-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 112837044
4-(methylamino)-N-(2-naphthalen-1-ylethyl)butanamide;hydrochloride
CID 119722500
5-[2-(1-benzothiophen-3-yl)ethylamino]pentan-2-one
CID 115236729
N-[2-(1-benzothiophen-3-yl)ethyl]-1-cyanoformamide
CID 115172576
3-(1-benzothiophen-3-yl)-N',N'-dimethylpropanehydrazide
CID 116847650
1-amino-N-[2-(1-benzothiophen-3-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119296493
N-[3-(methylamino)propyl]-4-(5-methylthiophen-2-yl)butanamide;hydrochloride
CID 119433722
N-[2-(aminomethyl)cyclopentyl]-4-(1-benzothiophen-3-yl)butanamide;hydrochloride
CID 119604150

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophen-3-yl)-N-[3-(methylamino)propyl]butanamide;hydrochloride?
The IUPAC name of 4-(1-benzothiophen-3-yl)-N-[3-(methylamino)propyl]butanamide;hydrochloride (CID 119433107) is 4-(1-benzothiophen-3-yl)-N-[3-(methylamino)propyl]butanamide;hydrochloride.
What is the SMILES notation for 4-(1-benzothiophen-3-yl)-N-[3-(methylamino)propyl]butanamide;hydrochloride?
The canonical SMILES for 4-(1-benzothiophen-3-yl)-N-[3-(methylamino)propyl]butanamide;hydrochloride is CNCCCNC(=O)CCCc1csc2ccccc12.Cl.
What is the InChIKey of 4-(1-benzothiophen-3-yl)-N-[3-(methylamino)propyl]butanamide;hydrochloride?
The InChIKey is KMMPKUORCIINDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS.ClH/c1-17-10-5-11-18-16(19)9-4-6-13-12-20-15-8-3-2-7-14(13)15;/h2-3,7-8,12,17H,4-6,9-11H2,1H3,(H,18,19);1H.
What are the key properties of 4-(1-benzothiophen-3-yl)-N-[3-(methylamino)propyl]butanamide;hydrochloride?
4-(1-benzothiophen-3-yl)-N-[3-(methylamino)propyl]butanamide;hydrochloride has a molecular weight of 326.89 g/mol, XLogP of 3.37, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-3-yl)-N-[3-(methylamino)propyl]butanamide;hydrochloride is sourced from PubChem (CID 119433107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).