4-(diethylsulfamoyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride

C21H30ClN3O4S2 — CID 6603385

IUPAC4-(diethylsulfamoyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(c2cccs2)N2CCOCC2)cc1.Cl
InChIInChI=1S/C21H29N3O4S2.ClH/c1-3-24(4-2)30(26,27)18-9-7-17(8-10-18)21(25)22-16-19(20-6-5-15-29-20)23-11-13-28-14-12-23;/h5-10,15,19H,3-4,11-14,16H2,1-2H3,(H,22,25);1H
InChIKeyGVYMPKZUPROGHE-UHFFFAOYSA-N
MW488.08 g/mol
LogP3.00
Rot. Bonds9

About 4-(diethylsulfamoyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride

4-(diethylsulfamoyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride (PubChem CID 6603385) has the molecular formula C21H30ClN3O4S2 and a molecular weight of 488.08 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride
PubChem CID6603385
Molecular FormulaC21H30ClN3O4S2
Molecular Weight488.08 g/mol
Exact Mass487.14
IUPAC Name4-(diethylsulfamoyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(c2cccs2)N2CCOCC2)cc1.Cl
InChIInChI=1S/C21H29N3O4S2.ClH/c1-3-24(4-2)30(26,27)18-9-7-17(8-10-18)21(25)22-16-19(20-6-5-15-29-20)23-11-13-28-14-12-23;/h5-10,15,19H,3-4,11-14,16H2,1-2H3,(H,22,25);1H
InChIKeyGVYMPKZUPROGHE-UHFFFAOYSA-N
XLogP3.00
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.08
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(dimethylsulfamoyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 24980274
3-(dimethylsulfamoyl)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
CID 4788844
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
CID 4845856
(Z)-4-methyl-N-(1-(3-methylthiophen-2-yl)-3-((3-morpholinopropyl)amino)-3-oxoprop-1-en-2-yl)benzamide
CID 2891946
4-Biphenyl-4-yl-thiophene-2-carboxylic acid (2-morpholin-4-yl-ethyl)-amide
CID 10091931
4-(4-Cyclohexyl-phenyl)-thiophene-2-carboxylic acid (2-morpholin-4-yl-ethyl)-amide
CID 10408590
N-(2-morpholin-4-ylethyl)-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide;hydrochloride
CID 14700212
Phenyl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 2524719
N-[[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]methyl]benzamide
CID 2823611
4-Methyl-N-[1-(3-morpholin-4-yl-propylcarbamoyl)-2-thiophen-2-yl-vinyl]-benzamide
CID 2131946
N,N-dimethyl-4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzenesulfonamide
CID 2161272
N-[1-(Morpholine-4-carbonyl)-2-thiophen-2-yl-vinyl]-benzamide
CID 2262661

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride?
The IUPAC name of 4-(diethylsulfamoyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride (CID 6603385) is 4-(diethylsulfamoyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 4-(diethylsulfamoyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride is CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(c2cccs2)N2CCOCC2)cc1.Cl.
What is the InChIKey of 4-(diethylsulfamoyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride?
The InChIKey is GVYMPKZUPROGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4S2.ClH/c1-3-24(4-2)30(26,27)18-9-7-17(8-10-18)21(25)22-16-19(20-6-5-15-29-20)23-11-13-28-14-12-23;/h5-10,15,19H,3-4,11-14,16H2,1-2H3,(H,22,25);1H.
What are the key properties of 4-(diethylsulfamoyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride?
4-(diethylsulfamoyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride has a molecular weight of 488.08 g/mol, XLogP of 3.00, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 6603385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).