N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-4-[(2-phenylacetyl)amino]benzamide

C24H20N4O4S2 — CID 17119648

IUPACN-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-4-[(2-phenylacetyl)amino]benzamide
SMILESO=C(Cc1ccccc1)Nc1ccc(C(=O)Nc2nnc(CS(=O)(=O)c3ccccc3)s2)cc1
InChIInChI=1S/C24H20N4O4S2/c29-21(15-17-7-3-1-4-8-17)25-19-13-11-18(12-14-19)23(30)26-24-28-27-22(33-24)16-34(31,32)20-9-5-2-6-10-20/h1-14H,15-16H2,(H,25,29)(H,26,28,30)
InChIKeyLGNXAPLQOIGQJU-UHFFFAOYSA-N
MW492.58 g/mol
LogP3.95
Rot. Bonds8

About N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-4-[(2-phenylacetyl)amino]benzamide

N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-4-[(2-phenylacetyl)amino]benzamide (PubChem CID 17119648) has the molecular formula C24H20N4O4S2 and a molecular weight of 492.58 g/mol. Its IUPAC name is N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-4-[(2-phenylacetyl)amino]benzamide.

Molecular Properties

Compound NameN-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-4-[(2-phenylacetyl)amino]benzamide
PubChem CID17119648
Molecular FormulaC24H20N4O4S2
Molecular Weight492.58 g/mol
Exact Mass492.09
IUPAC NameN-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-4-[(2-phenylacetyl)amino]benzamide
SMILESO=C(Cc1ccccc1)Nc1ccc(C(=O)Nc2nnc(CS(=O)(=O)c3ccccc3)s2)cc1
InChIInChI=1S/C24H20N4O4S2/c29-21(15-17-7-3-1-4-8-17)25-19-13-11-18(12-14-19)23(30)26-24-28-27-22(33-24)16-34(31,32)20-9-5-2-6-10-20/h1-14H,15-16H2,(H,25,29)(H,26,28,30)
InChIKeyLGNXAPLQOIGQJU-UHFFFAOYSA-N
XLogP3.95
TPSA118.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
CID 17319604
N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-[(2-phenylacetyl)amino]benzamide
CID 17119566
[4-[(5-benzyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]carbamic acid
CID 68739824
4-[(2-phenylacetyl)amino]-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 17119526
N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]pentanamide
CID 17321419
4-benzamido-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 17153333
(E)-N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
CID 17320573
N-[5-(benzylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]-4-(pentanoylamino)benzamide
CID 17321447
4-(benzenesulfonylmethyl)-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 55759309
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide
CID 741030
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide;ethane
CID 123768495
4-benzamido-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 17153411

Frequently Asked Questions

What is the IUPAC name of N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-4-[(2-phenylacetyl)amino]benzamide?
The IUPAC name of N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-4-[(2-phenylacetyl)amino]benzamide (CID 17119648) is N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-4-[(2-phenylacetyl)amino]benzamide.
What is the SMILES notation for N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-4-[(2-phenylacetyl)amino]benzamide?
The canonical SMILES for N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-4-[(2-phenylacetyl)amino]benzamide is O=C(Cc1ccccc1)Nc1ccc(C(=O)Nc2nnc(CS(=O)(=O)c3ccccc3)s2)cc1.
What is the InChIKey of N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-4-[(2-phenylacetyl)amino]benzamide?
The InChIKey is LGNXAPLQOIGQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O4S2/c29-21(15-17-7-3-1-4-8-17)25-19-13-11-18(12-14-19)23(30)26-24-28-27-22(33-24)16-34(31,32)20-9-5-2-6-10-20/h1-14H,15-16H2,(H,25,29)(H,26,28,30).
What are the key properties of N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-4-[(2-phenylacetyl)amino]benzamide?
N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-4-[(2-phenylacetyl)amino]benzamide has a molecular weight of 492.58 g/mol, XLogP of 3.95, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]-4-[(2-phenylacetyl)amino]benzamide is sourced from PubChem (CID 17119648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).