N-[2-(ethylamino)ethyl]-4-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride

C16H22ClN3O3S2 — CID 119505533

IUPACN-[2-(ethylamino)ethyl]-4-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
SMILESCCNCCNC(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1.Cl
InChIInChI=1S/C16H21N3O3S2.ClH/c1-2-17-9-10-18-16(20)13-5-7-15(8-6-13)24(21,22)19-12-14-4-3-11-23-14;/h3-8,11,17,19H,2,9-10,12H2,1H3,(H,18,20);1H
InChIKeyRZYKHAUCQKRTBL-UHFFFAOYSA-N
MW403.96 g/mol
LogP1.99
Rot. Bonds9

About N-[2-(ethylamino)ethyl]-4-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride

N-[2-(ethylamino)ethyl]-4-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride (PubChem CID 119505533) has the molecular formula C16H22ClN3O3S2 and a molecular weight of 403.96 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-4-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-4-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
PubChem CID119505533
Molecular FormulaC16H22ClN3O3S2
Molecular Weight403.96 g/mol
Exact Mass403.08
IUPAC NameN-[2-(ethylamino)ethyl]-4-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
SMILESCCNCCNC(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1.Cl
InChIInChI=1S/C16H21N3O3S2.ClH/c1-2-17-9-10-18-16(20)13-5-7-15(8-6-13)24(21,22)19-12-14-4-3-11-23-14;/h3-8,11,17,19H,2,9-10,12H2,1H3,(H,18,20);1H
InChIKeyRZYKHAUCQKRTBL-UHFFFAOYSA-N
XLogP1.99
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.96
LogP ≤ 51.99
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-ethoxy-4-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 60597755
N-[2-(methylamino)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119499971
4-(tert-butylsulfamoyl)-N-[2-(ethylamino)ethyl]benzamide
CID 119505424
N-hexyl-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 30854127
N-cyclohexyl-4-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 3228850
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-4-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 167959278
N-[2-[di(propan-2-yl)amino]ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 30480977
N-[2-(methylamino)propyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 120829635
N-[(1S,2R)-2-methylcyclohexyl]-4-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 1428510
N-[(1R,2R)-2-methylcyclohexyl]-4-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 1428507
4-(diethylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide
CID 4882047
2-methoxy-N-propyl-5-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 27261015

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-4-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride?
The IUPAC name of N-[2-(ethylamino)ethyl]-4-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride (CID 119505533) is N-[2-(ethylamino)ethyl]-4-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-4-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride?
The canonical SMILES for N-[2-(ethylamino)ethyl]-4-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride is CCNCCNC(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1.Cl.
What is the InChIKey of N-[2-(ethylamino)ethyl]-4-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride?
The InChIKey is RZYKHAUCQKRTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S2.ClH/c1-2-17-9-10-18-16(20)13-5-7-15(8-6-13)24(21,22)19-12-14-4-3-11-23-14;/h3-8,11,17,19H,2,9-10,12H2,1H3,(H,18,20);1H.
What are the key properties of N-[2-(ethylamino)ethyl]-4-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride?
N-[2-(ethylamino)ethyl]-4-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride has a molecular weight of 403.96 g/mol, XLogP of 1.99, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-4-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride is sourced from PubChem (CID 119505533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).