4-(diethylsulfamoyl)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzamide

C22H25N3O3S2 — CID 2330634

IUPAC4-(diethylsulfamoyl)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cc(C)ccc3C)cs2)cc1
InChIInChI=1S/C22H25N3O3S2/c1-5-25(6-2)30(27,28)18-11-9-17(10-12-18)21(26)24-22-23-20(14-29-22)19-13-15(3)7-8-16(19)4/h7-14H,5-6H2,1-4H3,(H,23,24,26)
InChIKeyCNOBSJBKSMSAEA-UHFFFAOYSA-N
MW443.59 g/mol
LogP4.71
Rot. Bonds7

About 4-(diethylsulfamoyl)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzamide

4-(diethylsulfamoyl)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 2330634) has the molecular formula C22H25N3O3S2 and a molecular weight of 443.59 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID2330634
Molecular FormulaC22H25N3O3S2
Molecular Weight443.59 g/mol
Exact Mass443.13
IUPAC Name4-(diethylsulfamoyl)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cc(C)ccc3C)cs2)cc1
InChIInChI=1S/C22H25N3O3S2/c1-5-25(6-2)30(27,28)18-11-9-17(10-12-18)21(26)24-22-23-20(14-29-22)19-13-15(3)7-8-16(19)4/h7-14H,5-6H2,1-4H3,(H,23,24,26)
InChIKeyCNOBSJBKSMSAEA-UHFFFAOYSA-N
XLogP4.71
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(diethylsulfamoyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 998509
4-(diethylsulfamoyl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 3385540
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide
CID 4180781
5-bromo-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 8838910
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 735052
N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-4-methylbenzamide
CID 34314459
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzamide
CID 40817062
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-nitrobenzamide
CID 3331893
4-[bis(2-cyanoethyl)sulfamoyl]-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4078848
3-(diethylsulfamoyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 1275885
4-(dipropylsulfamoyl)-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]benzamide
CID 5066682
3-(benzenesulfonamido)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzamide (CID 2330634) is 4-(diethylsulfamoyl)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cc(C)ccc3C)cs2)cc1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is CNOBSJBKSMSAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S2/c1-5-25(6-2)30(27,28)18-11-9-17(10-12-18)21(26)24-22-23-20(14-29-22)19-13-15(3)7-8-16(19)4/h7-14H,5-6H2,1-4H3,(H,23,24,26).
What are the key properties of 4-(diethylsulfamoyl)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzamide?
4-(diethylsulfamoyl)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 443.59 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 2330634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).