2-[(4-methylphenyl)sulfonylamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide

C22H18N4O3S2 — CID 45006642

IUPAC2-[(4-methylphenyl)sulfonylamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2nnc(-c3ccccc3)s2)cc1
InChIInChI=1S/C22H18N4O3S2/c1-15-11-13-17(14-12-15)31(28,29)26-19-10-6-5-9-18(19)20(27)23-22-25-24-21(30-22)16-7-3-2-4-8-16/h2-14,26H,1H3,(H,23,25,27)
InChIKeyMDPUOJGHGDPBSB-UHFFFAOYSA-N
MW450.55 g/mol
LogP4.57
Rot. Bonds6

About 2-[(4-methylphenyl)sulfonylamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide

2-[(4-methylphenyl)sulfonylamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 45006642) has the molecular formula C22H18N4O3S2 and a molecular weight of 450.55 g/mol. Its IUPAC name is 2-[(4-methylphenyl)sulfonylamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-[(4-methylphenyl)sulfonylamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID45006642
Molecular FormulaC22H18N4O3S2
Molecular Weight450.55 g/mol
Exact Mass450.08
IUPAC Name2-[(4-methylphenyl)sulfonylamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2nnc(-c3ccccc3)s2)cc1
InChIInChI=1S/C22H18N4O3S2/c1-15-11-13-17(14-12-15)31(28,29)26-19-10-6-5-9-18(19)20(27)23-22-25-24-21(30-22)16-7-3-2-4-8-16/h2-14,26H,1H3,(H,23,25,27)
InChIKeyMDPUOJGHGDPBSB-UHFFFAOYSA-N
XLogP4.57
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.55
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 25040510
2-[(4-methylphenyl)sulfonylamino]-N-(6-phenyl-3-pyridinyl)benzamide
CID 70789372
2-bromo-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 23969392
2-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-oxazol-2-yl)benzamide
CID 70789374
methyl 3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-5-phenylthiophene-2-carboxylate
CID 3268360
3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 42770101
N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 3992916
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(benzenesulfonamido)benzamide
CID 7541869
4-methyl-N-[2-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]benzenesulfonamide
CID 4711775
5-(benzenesulfonamido)-2-chloro-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 100688864
2-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-5-(propan-2-ylsulfamoyl)benzamide
CID 24649213
N-(4-iodophenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 126385456

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)sulfonylamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2-[(4-methylphenyl)sulfonylamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide (CID 45006642) is 2-[(4-methylphenyl)sulfonylamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2-[(4-methylphenyl)sulfonylamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2-[(4-methylphenyl)sulfonylamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide is Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2nnc(-c3ccccc3)s2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)sulfonylamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is MDPUOJGHGDPBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3S2/c1-15-11-13-17(14-12-15)31(28,29)26-19-10-6-5-9-18(19)20(27)23-22-25-24-21(30-22)16-7-3-2-4-8-16/h2-14,26H,1H3,(H,23,25,27).
What are the key properties of 2-[(4-methylphenyl)sulfonylamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
2-[(4-methylphenyl)sulfonylamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 450.55 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)sulfonylamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 45006642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).