2-amino-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]benzamide;hydrochloride

C18H24ClN3O3S2 — CID 119945738

IUPAC2-amino-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]benzamide;hydrochloride
SMILESCl.Nc1ccccc1C(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1
InChIInChI=1S/C18H23N3O3S2.ClH/c19-16-7-3-2-6-15(16)18(22)20-11-10-14-8-9-17(25-14)26(23,24)21-12-4-1-5-13-21;/h2-3,6-9H,1,4-5,10-13,19H2,(H,20,22);1H
InChIKeyHDULUMRDXQFNRR-UHFFFAOYSA-N
MW430.00 g/mol
LogP2.90
Rot. Bonds6

About 2-amino-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]benzamide;hydrochloride

2-amino-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]benzamide;hydrochloride (PubChem CID 119945738) has the molecular formula C18H24ClN3O3S2 and a molecular weight of 430.00 g/mol. Its IUPAC name is 2-amino-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]benzamide;hydrochloride
PubChem CID119945738
Molecular FormulaC18H24ClN3O3S2
Molecular Weight430.00 g/mol
Exact Mass429.09
IUPAC Name2-amino-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]benzamide;hydrochloride
SMILESCl.Nc1ccccc1C(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1
InChIInChI=1S/C18H23N3O3S2.ClH/c19-16-7-3-2-6-15(16)18(22)20-11-10-14-8-9-17(25-14)26(23,24)21-12-4-1-5-13-21;/h2-3,6-9H,1,4-5,10-13,19H2,(H,20,22);1H
InChIKeyHDULUMRDXQFNRR-UHFFFAOYSA-N
XLogP2.90
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.00
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]propanamide;hydrochloride
CID 119334218
N-[[5-(azepan-1-ylsulfonyl)thiophen-2-yl]methyl]-2-bromobenzamide
CID 53112446
4-amino-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]butanamide;hydrochloride
CID 119334238
4-amino-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]butanamide
CID 119334239
(2S)-2-amino-4-methyl-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]pentanamide;hydrochloride
CID 119802258
4-(methylamino)-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]butanamide;hydrochloride
CID 119802226
2-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide;hydrochloride
CID 119944773
2-(2-methoxyethylamino)-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]acetamide
CID 119802253
N-[2-(4-aminophenyl)ethyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 119548449
2-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 119944774
N-(3-aminobutyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide;hydrochloride
CID 119497975
N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 17440789

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]benzamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]benzamide;hydrochloride (CID 119945738) is 2-amino-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]benzamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]benzamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]benzamide;hydrochloride is Cl.Nc1ccccc1C(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1.
What is the InChIKey of 2-amino-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]benzamide;hydrochloride?
The InChIKey is HDULUMRDXQFNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S2.ClH/c19-16-7-3-2-6-15(16)18(22)20-11-10-14-8-9-17(25-14)26(23,24)21-12-4-1-5-13-21;/h2-3,6-9H,1,4-5,10-13,19H2,(H,20,22);1H.
What are the key properties of 2-amino-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]benzamide;hydrochloride?
2-amino-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]benzamide;hydrochloride has a molecular weight of 430.00 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]benzamide;hydrochloride is sourced from PubChem (CID 119945738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).