N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide

C24H22N4O7S — CID 121043315

IUPACN-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3nnc(-c4cc(OC)cc(OC)c4)o3)c2)cc1
InChIInChI=1S/C24H22N4O7S/c1-32-18-7-9-21(10-8-18)36(30,31)28-17-6-4-5-15(11-17)22(29)25-24-27-26-23(35-24)16-12-19(33-2)14-20(13-16)34-3/h4-14,28H,1-3H3,(H,25,27,29)
InChIKeyDDKHBCBFLOBENI-UHFFFAOYSA-N
MW510.53 g/mol
LogP3.82
Rot. Bonds9

About N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide

N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide (PubChem CID 121043315) has the molecular formula C24H22N4O7S and a molecular weight of 510.53 g/mol. Its IUPAC name is N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide
PubChem CID121043315
Molecular FormulaC24H22N4O7S
Molecular Weight510.53 g/mol
Exact Mass510.12
IUPAC NameN-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3nnc(-c4cc(OC)cc(OC)c4)o3)c2)cc1
InChIInChI=1S/C24H22N4O7S/c1-32-18-7-9-21(10-8-18)36(30,31)28-17-6-4-5-15(11-17)22(29)25-24-27-26-23(35-24)16-12-19(33-2)14-20(13-16)34-3/h4-14,28H,1-3H3,(H,25,27,29)
InChIKeyDDKHBCBFLOBENI-UHFFFAOYSA-N
XLogP3.82
TPSA141.88 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.53
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

3-[(4-fluorophenyl)sulfonylamino]-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 121041911
4-[(4-methoxyphenyl)sulfonylamino]-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43977232
3-[(4-methoxyphenyl)sulfonylamino]-N-[4-[4-[[3-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]phenyl]phenyl]benzamide
CID 121043305
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfonylbenzamide
CID 7565715
3-[(4-methylphenyl)sulfonylamino]-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 121042521
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-[(2,2,2-trichloroacetyl)amino]benzamide
CID 45010959
N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide
CID 2158980
3-(benzenesulfonamido)-N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16822797
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-[(4-fluorophenyl)sulfonylamino]benzamide
CID 121042003
N-(4,5-diphenyl-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121043163
N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(dimethylamino)benzamide
CID 3251865
N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 40959645

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide (CID 121043315) is N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide is COc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3nnc(-c4cc(OC)cc(OC)c4)o3)c2)cc1.
What is the InChIKey of N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide?
The InChIKey is DDKHBCBFLOBENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O7S/c1-32-18-7-9-21(10-8-18)36(30,31)28-17-6-4-5-15(11-17)22(29)25-24-27-26-23(35-24)16-12-19(33-2)14-20(13-16)34-3/h4-14,28H,1-3H3,(H,25,27,29).
What are the key properties of N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide?
N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide has a molecular weight of 510.53 g/mol, XLogP of 3.82, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 121043315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).