N-(3-aminopropyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide;hydrochloride

C15H20ClN3O3S2 — CID 119408784

IUPACN-(3-aminopropyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide;hydrochloride
SMILESCl.NCCCNC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C15H19N3O3S2.ClH/c16-8-2-9-17-14(19)11-12-4-6-13(7-5-12)18-23(20,21)15-3-1-10-22-15;/h1,3-7,10,18H,2,8-9,11,16H2,(H,17,19);1H
InChIKeyMQBHICNDMJDWJA-UHFFFAOYSA-N
MW389.93 g/mol
LogP1.98
Rot. Bonds8

About N-(3-aminopropyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide;hydrochloride

N-(3-aminopropyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide;hydrochloride (PubChem CID 119408784) has the molecular formula C15H20ClN3O3S2 and a molecular weight of 389.93 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide;hydrochloride
PubChem CID119408784
Molecular FormulaC15H20ClN3O3S2
Molecular Weight389.93 g/mol
Exact Mass389.06
IUPAC NameN-(3-aminopropyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide;hydrochloride
SMILESCl.NCCCNC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C15H19N3O3S2.ClH/c16-8-2-9-17-14(19)11-12-4-6-13(7-5-12)18-23(20,21)15-3-1-10-22-15;/h1,3-7,10,18H,2,8-9,11,16H2,(H,17,19);1H
InChIKeyMQBHICNDMJDWJA-UHFFFAOYSA-N
XLogP1.98
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.93
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-pentyl-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 39266553
4-[[2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetyl]amino]butanoic acid
CID 119170907
N-(3-propan-2-yloxypropyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 39397239
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 55735081
N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 55955386
N-(4-chlorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 39154419
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 39625765
N-[(4-cyanophenyl)methyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 46591163
N-[2-(diethylamino)propyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 55656034
N-(1-hydroxypropan-2-yl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 78856474
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 55569595
N-(3-aminopropyl)thiophene-2-sulfonamide;hydrochloride
CID 119962042

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide;hydrochloride (CID 119408784) is N-(3-aminopropyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide;hydrochloride is Cl.NCCCNC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-(3-aminopropyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide;hydrochloride?
The InChIKey is MQBHICNDMJDWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S2.ClH/c16-8-2-9-17-14(19)11-12-4-6-13(7-5-12)18-23(20,21)15-3-1-10-22-15;/h1,3-7,10,18H,2,8-9,11,16H2,(H,17,19);1H.
What are the key properties of N-(3-aminopropyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide;hydrochloride?
N-(3-aminopropyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide;hydrochloride has a molecular weight of 389.93 g/mol, XLogP of 1.98, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119408784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).