5-(diethylsulfamoyl)-N,2-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide

C17H23N3O3S2 — CID 86998664

IUPAC5-(diethylsulfamoyl)-N,2-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N(C)c2nc(C)cs2)c1
InChIInChI=1S/C17H23N3O3S2/c1-6-20(7-2)25(22,23)14-9-8-12(3)15(10-14)16(21)19(5)17-18-13(4)11-24-17/h8-11H,6-7H2,1-5H3
InChIKeyPQDRICNZNOXREH-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.07
Rot. Bonds6

About 5-(diethylsulfamoyl)-N,2-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide

5-(diethylsulfamoyl)-N,2-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 86998664) has the molecular formula C17H23N3O3S2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 5-(diethylsulfamoyl)-N,2-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name5-(diethylsulfamoyl)-N,2-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID86998664
Molecular FormulaC17H23N3O3S2
Molecular Weight381.52 g/mol
Exact Mass381.12
IUPAC Name5-(diethylsulfamoyl)-N,2-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N(C)c2nc(C)cs2)c1
InChIInChI=1S/C17H23N3O3S2/c1-6-20(7-2)25(22,23)14-9-8-12(3)15(10-14)16(21)19(5)17-18-13(4)11-24-17/h8-11H,6-7H2,1-5H3
InChIKeyPQDRICNZNOXREH-UHFFFAOYSA-N
XLogP3.07
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(diethylsulfamoyl)-N,N-diethyl-2-methylbenzamide
CID 78777279
5-(diethylsulfamoyl)-2-methylbenzoyl chloride
CID 15639076
5-(diethylsulfamoyl)-N,2-dimethyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55675449
N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 119382998
N-(1,3-benzothiazol-2-yl)-5-(diethylsulfamoyl)-2-fluoro-N-methylbenzamide
CID 34255200
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-5-(diethylsulfamoyl)-N,2-dimethylbenzamide
CID 38394548
5-(diethylsulfamoyl)-2-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 60556699
5-(diethylsulfamoyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylbenzamide
CID 87043361
5-(diethylsulfamoyl)-2-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 48731409
5-[ethyl(methyl)sulfamoyl]-2-methylbenzoic acid
CID 43263312
4-ethoxy-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 110723612
5-(diethylsulfamoyl)-2-methyl-N-(4-methylphenyl)benzamide
CID 8760171

Frequently Asked Questions

What is the IUPAC name of 5-(diethylsulfamoyl)-N,2-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 5-(diethylsulfamoyl)-N,2-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide (CID 86998664) is 5-(diethylsulfamoyl)-N,2-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 5-(diethylsulfamoyl)-N,2-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 5-(diethylsulfamoyl)-N,2-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide is CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N(C)c2nc(C)cs2)c1.
What is the InChIKey of 5-(diethylsulfamoyl)-N,2-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is PQDRICNZNOXREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S2/c1-6-20(7-2)25(22,23)14-9-8-12(3)15(10-14)16(21)19(5)17-18-13(4)11-24-17/h8-11H,6-7H2,1-5H3.
What are the key properties of 5-(diethylsulfamoyl)-N,2-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
5-(diethylsulfamoyl)-N,2-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 381.52 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylsulfamoyl)-N,2-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 86998664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).