3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide

C18H23N5O3S2 — CID 26197597

IUPAC3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCCn1c(CCC(=O)Nc2ncc(C)s2)nc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C18H23N5O3S2/c1-5-23-15-7-6-13(28(25,26)22(3)4)10-14(15)20-16(23)8-9-17(24)21-18-19-11-12(2)27-18/h6-7,10-11H,5,8-9H2,1-4H3,(H,19,21,24)
InChIKeyASSXCZDCCQRNIL-UHFFFAOYSA-N
MW421.55 g/mol
LogP2.64
Rot. Bonds7

About 3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide

3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 26197597) has the molecular formula C18H23N5O3S2 and a molecular weight of 421.55 g/mol. Its IUPAC name is 3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID26197597
Molecular FormulaC18H23N5O3S2
Molecular Weight421.55 g/mol
Exact Mass421.12
IUPAC Name3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCCn1c(CCC(=O)Nc2ncc(C)s2)nc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C18H23N5O3S2/c1-5-23-15-7-6-13(28(25,26)22(3)4)10-14(15)20-16(23)8-9-17(24)21-18-19-11-12(2)27-18/h6-7,10-11H,5,8-9H2,1-4H3,(H,19,21,24)
InChIKeyASSXCZDCCQRNIL-UHFFFAOYSA-N
XLogP2.64
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-methylpropanamide
CID 51156099
N-(6-chloro-1,3-benzothiazol-2-yl)-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
CID 26901277
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-propylpropanamide
CID 24654503
N-(2-amino-2-methylpropyl)-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
CID 119630335
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N,N-dimethylpropanamide
CID 46652516
N-(2-acetylphenyl)-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
CID 30250318
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 43041625
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 24665655
(2R)-2-[3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoylamino]propanoic acid
CID 119243818
N-[4-(cyanomethyl)phenyl]-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
CID 35705492
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(3-nitrophenyl)propanamide
CID 24638603
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-methoxyethyl)propanamide
CID 24559345

Frequently Asked Questions

What is the IUPAC name of 3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide (CID 26197597) is 3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide is CCn1c(CCC(=O)Nc2ncc(C)s2)nc2cc(S(=O)(=O)N(C)C)ccc21.
What is the InChIKey of 3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is ASSXCZDCCQRNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3S2/c1-5-23-15-7-6-13(28(25,26)22(3)4)10-14(15)20-16(23)8-9-17(24)21-18-19-11-12(2)27-18/h6-7,10-11H,5,8-9H2,1-4H3,(H,19,21,24).
What are the key properties of 3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 421.55 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 26197597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).