N-(2-imidazol-1-ylethyl)-3-[(5-methylthiophen-2-yl)methylamino]-5-(phenylsulfamoyl)benzamide

C24H25N5O3S2 — CID 26144178

IUPACN-(2-imidazol-1-ylethyl)-3-[(5-methylthiophen-2-yl)methylamino]-5-(phenylsulfamoyl)benzamide
SMILESCc1ccc(CNc2cc(C(=O)NCCn3ccnc3)cc(S(=O)(=O)Nc3ccccc3)c2)s1
InChIInChI=1S/C24H25N5O3S2/c1-18-7-8-22(33-18)16-27-21-13-19(24(30)26-10-12-29-11-9-25-17-29)14-23(15-21)34(31,32)28-20-5-3-2-4-6-20/h2-9,11,13-15,17,27-28H,10,12,16H2,1H3,(H,26,30)
InChIKeyXWBAXDOIUMWDKD-UHFFFAOYSA-N
MW495.63 g/mol
LogP4.10
Rot. Bonds10

About N-(2-imidazol-1-ylethyl)-3-[(5-methylthiophen-2-yl)methylamino]-5-(phenylsulfamoyl)benzamide

N-(2-imidazol-1-ylethyl)-3-[(5-methylthiophen-2-yl)methylamino]-5-(phenylsulfamoyl)benzamide (PubChem CID 26144178) has the molecular formula C24H25N5O3S2 and a molecular weight of 495.63 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-3-[(5-methylthiophen-2-yl)methylamino]-5-(phenylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-3-[(5-methylthiophen-2-yl)methylamino]-5-(phenylsulfamoyl)benzamide
PubChem CID26144178
Molecular FormulaC24H25N5O3S2
Molecular Weight495.63 g/mol
Exact Mass495.14
IUPAC NameN-(2-imidazol-1-ylethyl)-3-[(5-methylthiophen-2-yl)methylamino]-5-(phenylsulfamoyl)benzamide
SMILESCc1ccc(CNc2cc(C(=O)NCCn3ccnc3)cc(S(=O)(=O)Nc3ccccc3)c2)s1
InChIInChI=1S/C24H25N5O3S2/c1-18-7-8-22(33-18)16-27-21-13-19(24(30)26-10-12-29-11-9-25-17-29)14-23(15-21)34(31,32)28-20-5-3-2-4-6-20/h2-9,11,13-15,17,27-28H,10,12,16H2,1H3,(H,26,30)
InChIKeyXWBAXDOIUMWDKD-UHFFFAOYSA-N
XLogP4.10
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.63
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-(cyclohexylmethylamino)-N-(2-imidazol-1-ylethyl)-5-(phenylsulfamoyl)benzamide
CID 26230555
N-cyclopentyl-3-[(5-methylthiophen-2-yl)methylamino]-5-(phenylsulfamoyl)benzamide
CID 26232184
3-[[(1R)-cyclohex-3-en-1-yl]methylamino]-N-(2-imidazol-1-ylethyl)-5-(phenylsulfamoyl)benzamide
CID 26233143
N-(2-imidazol-1-ylethyl)-3-[(2-methoxyphenyl)methylamino]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26221046
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(4-imidazol-1-ylbutyl)benzamide
CID 55975766
3-(dimethylsulfamoyl)-5-[(5-ethylfuran-2-yl)methylamino]-N-(3-imidazol-1-ylpropyl)benzamide
CID 26143583
3-[(3-chlorophenyl)sulfamoyl]-N-(3-imidazol-1-ylpropyl)benzamide
CID 35513232
3-[(3,4-dichlorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)benzamide
CID 35513286
N-(3-imidazol-1-ylpropyl)-3,5-bis(thiophen-2-ylsulfonylamino)benzamide
CID 4070087
3-[(2,4-dimethylphenyl)methylamino]-5-(phenylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide
CID 26140138
3-benzamido-N-(3-imidazol-1-ylpropyl)benzamide
CID 4144744
3-(dimethylsulfamoyl)-5-[(4-ethoxyphenyl)methylamino]-N-(3-imidazol-1-ylpropyl)benzamide
CID 26144970

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-3-[(5-methylthiophen-2-yl)methylamino]-5-(phenylsulfamoyl)benzamide?
The IUPAC name of N-(2-imidazol-1-ylethyl)-3-[(5-methylthiophen-2-yl)methylamino]-5-(phenylsulfamoyl)benzamide (CID 26144178) is N-(2-imidazol-1-ylethyl)-3-[(5-methylthiophen-2-yl)methylamino]-5-(phenylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-3-[(5-methylthiophen-2-yl)methylamino]-5-(phenylsulfamoyl)benzamide?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-3-[(5-methylthiophen-2-yl)methylamino]-5-(phenylsulfamoyl)benzamide is Cc1ccc(CNc2cc(C(=O)NCCn3ccnc3)cc(S(=O)(=O)Nc3ccccc3)c2)s1.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-3-[(5-methylthiophen-2-yl)methylamino]-5-(phenylsulfamoyl)benzamide?
The InChIKey is XWBAXDOIUMWDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3S2/c1-18-7-8-22(33-18)16-27-21-13-19(24(30)26-10-12-29-11-9-25-17-29)14-23(15-21)34(31,32)28-20-5-3-2-4-6-20/h2-9,11,13-15,17,27-28H,10,12,16H2,1H3,(H,26,30).
What are the key properties of N-(2-imidazol-1-ylethyl)-3-[(5-methylthiophen-2-yl)methylamino]-5-(phenylsulfamoyl)benzamide?
N-(2-imidazol-1-ylethyl)-3-[(5-methylthiophen-2-yl)methylamino]-5-(phenylsulfamoyl)benzamide has a molecular weight of 495.63 g/mol, XLogP of 4.10, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-3-[(5-methylthiophen-2-yl)methylamino]-5-(phenylsulfamoyl)benzamide is sourced from PubChem (CID 26144178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).