N-(1,3-benzothiazol-2-yl)-3-[5-(diethylsulfamoyl)benzimidazol-1-yl]propanamide

C21H23N5O3S2 — CID 53064207

IUPACN-(1,3-benzothiazol-2-yl)-3-[5-(diethylsulfamoyl)benzimidazol-1-yl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)ncn2CCC(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C21H23N5O3S2/c1-3-26(4-2)31(28,29)15-9-10-18-17(13-15)22-14-25(18)12-11-20(27)24-21-23-16-7-5-6-8-19(16)30-21/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,23,24,27)
InChIKeyZNGRKAWKISKMPR-UHFFFAOYSA-N
MW457.58 g/mol
LogP3.71
Rot. Bonds8

About N-(1,3-benzothiazol-2-yl)-3-[5-(diethylsulfamoyl)benzimidazol-1-yl]propanamide

N-(1,3-benzothiazol-2-yl)-3-[5-(diethylsulfamoyl)benzimidazol-1-yl]propanamide (PubChem CID 53064207) has the molecular formula C21H23N5O3S2 and a molecular weight of 457.58 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-3-[5-(diethylsulfamoyl)benzimidazol-1-yl]propanamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-3-[5-(diethylsulfamoyl)benzimidazol-1-yl]propanamide
PubChem CID53064207
Molecular FormulaC21H23N5O3S2
Molecular Weight457.58 g/mol
Exact Mass457.12
IUPAC NameN-(1,3-benzothiazol-2-yl)-3-[5-(diethylsulfamoyl)benzimidazol-1-yl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)ncn2CCC(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C21H23N5O3S2/c1-3-26(4-2)31(28,29)15-9-10-18-17(13-15)22-14-25(18)12-11-20(27)24-21-23-16-7-5-6-8-19(16)30-21/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,23,24,27)
InChIKeyZNGRKAWKISKMPR-UHFFFAOYSA-N
XLogP3.71
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzothiazol-2-yl)-3-[5-(diethylsulfamoyl)benzotriazol-1-yl]propanamide
CID 53064544
N-(1,3-benzothiazol-2-yl)-3-(5-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)propanamide
CID 53064041
N-(1,3-benzothiazol-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 46828199
3-[5-(diethylsulfamoyl)benzimidazol-1-yl]-N-(2-ethoxyphenyl)propanamide
CID 53064222
3-[5-(diethylsulfamoyl)benzimidazol-1-yl]-N-(3,5-dimethoxyphenyl)propanamide
CID 53064189
3-(benzimidazol-1-yl)-N-[2-(propanoylamino)-1,3-benzothiazol-6-yl]propanamide
CID 50765768
N-(1,3-benzothiazol-2-yl)-4-(diethylsulfamoyl)benzamide
CID 2677030
N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-3-phenylpropanamide
CID 3472361
3-[5-(diethylsulfamoyl)benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 53064197
N-(4-acetylphenyl)-3-[5-(dimethylsulfamoyl)benzimidazol-1-yl]propanamide
CID 53064107
N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide
CID 3315451
2-[benzenesulfonyl(methyl)amino]-N-(1,3-benzothiazol-2-yl)acetamide
CID 2219880

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-3-[5-(diethylsulfamoyl)benzimidazol-1-yl]propanamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-3-[5-(diethylsulfamoyl)benzimidazol-1-yl]propanamide (CID 53064207) is N-(1,3-benzothiazol-2-yl)-3-[5-(diethylsulfamoyl)benzimidazol-1-yl]propanamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-3-[5-(diethylsulfamoyl)benzimidazol-1-yl]propanamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-3-[5-(diethylsulfamoyl)benzimidazol-1-yl]propanamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)ncn2CCC(=O)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-3-[5-(diethylsulfamoyl)benzimidazol-1-yl]propanamide?
The InChIKey is ZNGRKAWKISKMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3S2/c1-3-26(4-2)31(28,29)15-9-10-18-17(13-15)22-14-25(18)12-11-20(27)24-21-23-16-7-5-6-8-19(16)30-21/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,23,24,27).
What are the key properties of N-(1,3-benzothiazol-2-yl)-3-[5-(diethylsulfamoyl)benzimidazol-1-yl]propanamide?
N-(1,3-benzothiazol-2-yl)-3-[5-(diethylsulfamoyl)benzimidazol-1-yl]propanamide has a molecular weight of 457.58 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-3-[5-(diethylsulfamoyl)benzimidazol-1-yl]propanamide is sourced from PubChem (CID 53064207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).