N,N'-bis[(2-methoxyphenyl)-(4-methylphenyl)-oxo-λ6-sulfanylidene]oxamide

C30H28N2O6S2 — CID 11365205

IUPACN,N'-bis[(2-methoxyphenyl)-(4-methylphenyl)-oxo-λ6-sulfanylidene]oxamide
SMILESCOc1ccccc1S(=O)(=NC(=O)C(=O)N=S(=O)(c1ccc(C)cc1)c1ccccc1OC)c1ccc(C)cc1
InChIInChI=1S/C30H28N2O6S2/c1-21-13-17-23(18-14-21)39(35,27-11-7-5-9-25(27)37-3)31-29(33)30(34)32-40(36,24-19-15-22(2)16-20-24)28-12-8-6-10-26(28)38-4/h5-20H,1-4H3
InChIKeyJJKFQPGOTDJTBR-UHFFFAOYSA-N
MW576.70 g/mol
LogP5.85
Rot. Bonds6

About N,N'-bis[(2-methoxyphenyl)-(4-methylphenyl)-oxo-λ6-sulfanylidene]oxamide

N,N'-bis[(2-methoxyphenyl)-(4-methylphenyl)-oxo-λ6-sulfanylidene]oxamide (PubChem CID 11365205) has the molecular formula C30H28N2O6S2 and a molecular weight of 576.70 g/mol. Its IUPAC name is N,N'-bis[(2-methoxyphenyl)-(4-methylphenyl)-oxo-λ6-sulfanylidene]oxamide.

Molecular Properties

Compound NameN,N'-bis[(2-methoxyphenyl)-(4-methylphenyl)-oxo-λ6-sulfanylidene]oxamide
PubChem CID11365205
Molecular FormulaC30H28N2O6S2
Molecular Weight576.70 g/mol
Exact Mass576.14
IUPAC NameN,N'-bis[(2-methoxyphenyl)-(4-methylphenyl)-oxo-λ6-sulfanylidene]oxamide
SMILESCOc1ccccc1S(=O)(=NC(=O)C(=O)N=S(=O)(c1ccc(C)cc1)c1ccccc1OC)c1ccc(C)cc1
InChIInChI=1S/C30H28N2O6S2/c1-21-13-17-23(18-14-21)39(35,27-11-7-5-9-25(27)37-3)31-29(33)30(34)32-40(36,24-19-15-22(2)16-20-24)28-12-8-6-10-26(28)38-4/h5-20H,1-4H3
InChIKeyJJKFQPGOTDJTBR-UHFFFAOYSA-N
XLogP5.85
TPSA111.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.70
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyphenyl)sulfonyl-1-(4-methylphenyl)ethanone
CID 64637156
(4-methylphenyl) 2-methoxybenzenesulfonate
CID 47104087
2-(2-methoxyphenyl)sulfonylacetic acid
CID 18416868
2-methoxy-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylbenzamide
CID 1322535
1-methoxy-4-methyl-2-(4-methylphenyl)sulfonylbenzene
CID 145226676
(6-methoxy-7-oxocyclohepta-1,3,5-trien-1-yl) 4-methylbenzenesulfonate
CID 101078205
(2-methoxyphenyl) 2-[(4-methylphenyl)sulfonylamino]acetate
CID 110670993
4-(2-methoxyphenyl)sulfonylaniline
CID 10801498
3-(2-methoxyphenyl)sulfonylbutan-2-one
CID 64637155
N-(4-methoxy-3-naphthalen-1-ylsulfonylphenyl)-4-methylbenzenesulfonamide
CID 138964681
N-(2-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]pyrimidine-5-carboxamide
CID 5039717
1-ethylsulfonyl-2-methoxybenzene
CID 12920561

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(2-methoxyphenyl)-(4-methylphenyl)-oxo-λ6-sulfanylidene]oxamide?
The IUPAC name of N,N'-bis[(2-methoxyphenyl)-(4-methylphenyl)-oxo-λ6-sulfanylidene]oxamide (CID 11365205) is N,N'-bis[(2-methoxyphenyl)-(4-methylphenyl)-oxo-λ6-sulfanylidene]oxamide.
What is the SMILES notation for N,N'-bis[(2-methoxyphenyl)-(4-methylphenyl)-oxo-λ6-sulfanylidene]oxamide?
The canonical SMILES for N,N'-bis[(2-methoxyphenyl)-(4-methylphenyl)-oxo-λ6-sulfanylidene]oxamide is COc1ccccc1S(=O)(=NC(=O)C(=O)N=S(=O)(c1ccc(C)cc1)c1ccccc1OC)c1ccc(C)cc1.
What is the InChIKey of N,N'-bis[(2-methoxyphenyl)-(4-methylphenyl)-oxo-λ6-sulfanylidene]oxamide?
The InChIKey is JJKFQPGOTDJTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O6S2/c1-21-13-17-23(18-14-21)39(35,27-11-7-5-9-25(27)37-3)31-29(33)30(34)32-40(36,24-19-15-22(2)16-20-24)28-12-8-6-10-26(28)38-4/h5-20H,1-4H3.
What are the key properties of N,N'-bis[(2-methoxyphenyl)-(4-methylphenyl)-oxo-λ6-sulfanylidene]oxamide?
N,N'-bis[(2-methoxyphenyl)-(4-methylphenyl)-oxo-λ6-sulfanylidene]oxamide has a molecular weight of 576.70 g/mol, XLogP of 5.85, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(2-methoxyphenyl)-(4-methylphenyl)-oxo-λ6-sulfanylidene]oxamide is sourced from PubChem (CID 11365205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).