N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-(2-imidazol-1-ylethylamino)benzamide

C22H23N7O3S2 — CID 146099329

IUPACN-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-(2-imidazol-1-ylethylamino)benzamide
SMILESCCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(NCCn4ccnc4)cc3)cc2)s1
InChIInChI=1S/C22H23N7O3S2/c1-2-20-26-27-22(33-20)28-34(31,32)19-9-7-18(8-10-19)25-21(30)16-3-5-17(6-4-16)24-12-14-29-13-11-23-15-29/h3-11,13,15,24H,2,12,14H2,1H3,(H,25,30)(H,27,28)
InChIKeyKIJMLEFWPWSWIS-UHFFFAOYSA-N
MW497.61 g/mol
LogP3.46
Rot. Bonds10

About N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-(2-imidazol-1-ylethylamino)benzamide

N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-(2-imidazol-1-ylethylamino)benzamide (PubChem CID 146099329) has the molecular formula C22H23N7O3S2 and a molecular weight of 497.61 g/mol. Its IUPAC name is N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-(2-imidazol-1-ylethylamino)benzamide.

Molecular Properties

Compound NameN-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-(2-imidazol-1-ylethylamino)benzamide
PubChem CID146099329
Molecular FormulaC22H23N7O3S2
Molecular Weight497.61 g/mol
Exact Mass497.13
IUPAC NameN-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-(2-imidazol-1-ylethylamino)benzamide
SMILESCCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(NCCn4ccnc4)cc3)cc2)s1
InChIInChI=1S/C22H23N7O3S2/c1-2-20-26-27-22(33-20)28-34(31,32)19-9-7-18(8-10-19)25-21(30)16-3-5-17(6-4-16)24-12-14-29-13-11-23-15-29/h3-11,13,15,24H,2,12,14H2,1H3,(H,25,30)(H,27,28)
InChIKeyKIJMLEFWPWSWIS-UHFFFAOYSA-N
XLogP3.46
TPSA130.90 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.61
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-piperidin-1-ylsulfonylbenzamide
CID 3312448
N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-morpholin-4-ylsulfonylbenzamide
CID 16831933
N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 16804484
4-cyclopentyloxy-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide
CID 50739495
N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide
CID 1244336
N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 155967978
3-(1,3-dioxoisoindol-2-yl)-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide
CID 25046005
4-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 25041652
N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-3-phenylprop-2-enamide
CID 5027269
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 30580999
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]furan-2-carboxamide
CID 4169758
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-(imidazol-1-ylmethyl)benzamide
CID 55719646

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-(2-imidazol-1-ylethylamino)benzamide?
The IUPAC name of N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-(2-imidazol-1-ylethylamino)benzamide (CID 146099329) is N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-(2-imidazol-1-ylethylamino)benzamide.
What is the SMILES notation for N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-(2-imidazol-1-ylethylamino)benzamide?
The canonical SMILES for N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-(2-imidazol-1-ylethylamino)benzamide is CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(NCCn4ccnc4)cc3)cc2)s1.
What is the InChIKey of N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-(2-imidazol-1-ylethylamino)benzamide?
The InChIKey is KIJMLEFWPWSWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O3S2/c1-2-20-26-27-22(33-20)28-34(31,32)19-9-7-18(8-10-19)25-21(30)16-3-5-17(6-4-16)24-12-14-29-13-11-23-15-29/h3-11,13,15,24H,2,12,14H2,1H3,(H,25,30)(H,27,28).
What are the key properties of N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-(2-imidazol-1-ylethylamino)benzamide?
N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-(2-imidazol-1-ylethylamino)benzamide has a molecular weight of 497.61 g/mol, XLogP of 3.46, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-(2-imidazol-1-ylethylamino)benzamide is sourced from PubChem (CID 146099329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).