N-[(5-chlorothiophen-2-yl)methyl]-5-(dimethylsulfamoyl)-N-ethyl-2-methylbenzamide

C17H21ClN2O3S2 — CID 24655700

IUPACN-[(5-chlorothiophen-2-yl)methyl]-5-(dimethylsulfamoyl)-N-ethyl-2-methylbenzamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1C
InChIInChI=1S/C17H21ClN2O3S2/c1-5-20(11-13-7-9-16(18)24-13)17(21)15-10-14(8-6-12(15)2)25(22,23)19(3)4/h6-10H,5,11H2,1-4H3
InChIKeyDOKXSRLSOVZHHW-UHFFFAOYSA-N
MW400.95 g/mol
LogP3.62
Rot. Bonds6

About N-[(5-chlorothiophen-2-yl)methyl]-5-(dimethylsulfamoyl)-N-ethyl-2-methylbenzamide

N-[(5-chlorothiophen-2-yl)methyl]-5-(dimethylsulfamoyl)-N-ethyl-2-methylbenzamide (PubChem CID 24655700) has the molecular formula C17H21ClN2O3S2 and a molecular weight of 400.95 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-5-(dimethylsulfamoyl)-N-ethyl-2-methylbenzamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-5-(dimethylsulfamoyl)-N-ethyl-2-methylbenzamide
PubChem CID24655700
Molecular FormulaC17H21ClN2O3S2
Molecular Weight400.95 g/mol
Exact Mass400.07
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-5-(dimethylsulfamoyl)-N-ethyl-2-methylbenzamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1C
InChIInChI=1S/C17H21ClN2O3S2/c1-5-20(11-13-7-9-16(18)24-13)17(21)15-10-14(8-6-12(15)2)25(22,23)19(3)4/h6-10H,5,11H2,1-4H3
InChIKeyDOKXSRLSOVZHHW-UHFFFAOYSA-N
XLogP3.62
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.95
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methylbenzamide;hydrochloride
CID 120618102
5-(diethylsulfamoyl)-N,N-diethyl-2-methylbenzamide
CID 78777279
3,5-diamino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide
CID 61116550
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-methylfuran-2-carboxamide
CID 134040981
N-benzyl-5-(dimethylsulfamoyl)-2-methyl-N-(2-phenylethyl)benzamide
CID 24676552
5-(dimethylsulfamoyl)-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzamide
CID 18170670
5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-2-methyl-N-prop-2-enylbenzamide
CID 65311698
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2,5-dimethoxybenzamide
CID 78788909
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-4-methyl-3-nitrobenzenesulfonamide
CID 9301949
5-(diethylsulfamoyl)-2-methylbenzoyl chloride
CID 15639076
N-[(5-chlorothiophen-2-yl)methyl]-5-(diethylsulfamoyl)-N-methyl-2-morpholin-4-ylbenzamide
CID 55360763
5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylthiophene-2-carboxamide
CID 60646115

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-5-(dimethylsulfamoyl)-N-ethyl-2-methylbenzamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-5-(dimethylsulfamoyl)-N-ethyl-2-methylbenzamide (CID 24655700) is N-[(5-chlorothiophen-2-yl)methyl]-5-(dimethylsulfamoyl)-N-ethyl-2-methylbenzamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-5-(dimethylsulfamoyl)-N-ethyl-2-methylbenzamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-5-(dimethylsulfamoyl)-N-ethyl-2-methylbenzamide is CCN(Cc1ccc(Cl)s1)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1C.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-5-(dimethylsulfamoyl)-N-ethyl-2-methylbenzamide?
The InChIKey is DOKXSRLSOVZHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O3S2/c1-5-20(11-13-7-9-16(18)24-13)17(21)15-10-14(8-6-12(15)2)25(22,23)19(3)4/h6-10H,5,11H2,1-4H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-5-(dimethylsulfamoyl)-N-ethyl-2-methylbenzamide?
N-[(5-chlorothiophen-2-yl)methyl]-5-(dimethylsulfamoyl)-N-ethyl-2-methylbenzamide has a molecular weight of 400.95 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-5-(dimethylsulfamoyl)-N-ethyl-2-methylbenzamide is sourced from PubChem (CID 24655700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).