N-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide

C19H19N3O6S — CID 9189394

IUPACN-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCc2nnc(S(=O)(=O)Cc3ccccc3)o2)cc1OC
InChIInChI=1S/C19H19N3O6S/c1-26-15-9-8-14(10-16(15)27-2)18(23)20-11-17-21-22-19(28-17)29(24,25)12-13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyDMAFZEZUVCXFGW-UHFFFAOYSA-N
MW417.44 g/mol
LogP1.99
Rot. Bonds8

About N-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide

N-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide (PubChem CID 9189394) has the molecular formula C19H19N3O6S and a molecular weight of 417.44 g/mol. Its IUPAC name is N-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide
PubChem CID9189394
Molecular FormulaC19H19N3O6S
Molecular Weight417.44 g/mol
Exact Mass417.10
IUPAC NameN-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCc2nnc(S(=O)(=O)Cc3ccccc3)o2)cc1OC
InChIInChI=1S/C19H19N3O6S/c1-26-15-9-8-14(10-16(15)27-2)18(23)20-11-17-21-22-19(28-17)29(24,25)12-13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyDMAFZEZUVCXFGW-UHFFFAOYSA-N
XLogP1.99
TPSA120.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylbenzamide
CID 9189372
N-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-fluorobenzamide
CID 9189406
1-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-propylurea
CID 9189459
N-[[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]-4-methoxybenzamide
CID 9189520
N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 2841934
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,4-dimethoxybenzamide
CID 87043417
N-[[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]pyridine-3-carboxamide
CID 9189646
2-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide
CID 53089373
N-benzyl-4-methoxy-3-methylbenzamide
CID 17018002
3,4-dimethoxy-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzamide
CID 110714594
N-benzyl-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
CID 9114511
3,4-dimethoxy-N-[[5-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 4087582

Frequently Asked Questions

What is the IUPAC name of N-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide (CID 9189394) is N-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCc2nnc(S(=O)(=O)Cc3ccccc3)o2)cc1OC.
What is the InChIKey of N-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide?
The InChIKey is DMAFZEZUVCXFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O6S/c1-26-15-9-8-14(10-16(15)27-2)18(23)20-11-17-21-22-19(28-17)29(24,25)12-13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3,(H,20,23).
What are the key properties of N-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide?
N-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide has a molecular weight of 417.44 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 9189394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).