N-[(5-chlorothiophen-2-yl)methyl]-5-(diethylsulfamoyl)-N-methyl-2-morpholin-4-ylbenzamide

C21H28ClN3O4S2 — CID 55360763

IUPACN-[(5-chlorothiophen-2-yl)methyl]-5-(diethylsulfamoyl)-N-methyl-2-morpholin-4-ylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N(C)Cc2ccc(Cl)s2)c1
InChIInChI=1S/C21H28ClN3O4S2/c1-4-25(5-2)31(27,28)17-7-8-19(24-10-12-29-13-11-24)18(14-17)21(26)23(3)15-16-6-9-20(22)30-16/h6-9,14H,4-5,10-13,15H2,1-3H3
InChIKeyQUFHDOKONLFIQN-UHFFFAOYSA-N
MW486.06 g/mol
LogP3.54
Rot. Bonds8

About N-[(5-chlorothiophen-2-yl)methyl]-5-(diethylsulfamoyl)-N-methyl-2-morpholin-4-ylbenzamide

N-[(5-chlorothiophen-2-yl)methyl]-5-(diethylsulfamoyl)-N-methyl-2-morpholin-4-ylbenzamide (PubChem CID 55360763) has the molecular formula C21H28ClN3O4S2 and a molecular weight of 486.06 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-5-(diethylsulfamoyl)-N-methyl-2-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-5-(diethylsulfamoyl)-N-methyl-2-morpholin-4-ylbenzamide
PubChem CID55360763
Molecular FormulaC21H28ClN3O4S2
Molecular Weight486.06 g/mol
Exact Mass485.12
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-5-(diethylsulfamoyl)-N-methyl-2-morpholin-4-ylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N(C)Cc2ccc(Cl)s2)c1
InChIInChI=1S/C21H28ClN3O4S2/c1-4-25(5-2)31(27,28)17-7-8-19(24-10-12-29-13-11-24)18(14-17)21(26)23(3)15-16-6-9-20(22)30-16/h6-9,14H,4-5,10-13,15H2,1-3H3
InChIKeyQUFHDOKONLFIQN-UHFFFAOYSA-N
XLogP3.54
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.06
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(diethylsulfamoyl)-N-methyl-N-(4-methylpentan-2-yl)-2-morpholin-4-ylbenzamide
CID 55591057
N-cyclohexyl-5-(diethylsulfamoyl)-N-methyl-2-morpholin-4-ylbenzamide
CID 30929978
N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-morpholin-4-ylbenzamide;hydrochloride
CID 119383889
N-(1,3-benzodioxol-5-ylmethyl)-5-(diethylsulfamoyl)-N-methyl-2-pyrrolidin-1-ylbenzamide
CID 46613014
N,N-diethyl-4-morpholin-4-yl-3-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide
CID 55549228
5-(dimethylsulfamoyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-morpholin-4-ylbenzamide
CID 46477468
5-(diethylsulfamoyl)-N-(2,5-dimethylpyrazol-3-yl)-2-morpholin-4-ylbenzamide
CID 55669464
N-(4-chloro-3-cyanophenyl)-5-(diethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 55481130
N-(1,3-benzothiazol-2-yl)-5-(dimethylsulfamoyl)-N-ethyl-2-morpholin-4-ylbenzamide
CID 16560001
5-(diethylsulfamoyl)-N-(1-ethyl-6-oxo-3-pyridinyl)-2-morpholin-4-ylbenzamide
CID 55990599
N-[(5-chlorothiophen-2-yl)methyl]-5-(dimethylsulfamoyl)-N-ethyl-2-methylbenzamide
CID 24655700
N,N-diethyl-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
CID 55335115

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-5-(diethylsulfamoyl)-N-methyl-2-morpholin-4-ylbenzamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-5-(diethylsulfamoyl)-N-methyl-2-morpholin-4-ylbenzamide (CID 55360763) is N-[(5-chlorothiophen-2-yl)methyl]-5-(diethylsulfamoyl)-N-methyl-2-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-5-(diethylsulfamoyl)-N-methyl-2-morpholin-4-ylbenzamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-5-(diethylsulfamoyl)-N-methyl-2-morpholin-4-ylbenzamide is CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N(C)Cc2ccc(Cl)s2)c1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-5-(diethylsulfamoyl)-N-methyl-2-morpholin-4-ylbenzamide?
The InChIKey is QUFHDOKONLFIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN3O4S2/c1-4-25(5-2)31(27,28)17-7-8-19(24-10-12-29-13-11-24)18(14-17)21(26)23(3)15-16-6-9-20(22)30-16/h6-9,14H,4-5,10-13,15H2,1-3H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-5-(diethylsulfamoyl)-N-methyl-2-morpholin-4-ylbenzamide?
N-[(5-chlorothiophen-2-yl)methyl]-5-(diethylsulfamoyl)-N-methyl-2-morpholin-4-ylbenzamide has a molecular weight of 486.06 g/mol, XLogP of 3.54, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-5-(diethylsulfamoyl)-N-methyl-2-morpholin-4-ylbenzamide is sourced from PubChem (CID 55360763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).