4-methoxy-N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]sulfanylcarbamoyl]benzamide

C23H19N3O4S — CID 22300593

IUPAC4-methoxy-N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]sulfanylcarbamoyl]benzamide
SMILESCOc1ccc(C(=O)NC(=O)NSc2ccc(-c3nc4ccc(C)cc4o3)cc2)cc1
InChIInChI=1S/C23H19N3O4S/c1-14-3-12-19-20(13-14)30-22(24-19)16-6-10-18(11-7-16)31-26-23(28)25-21(27)15-4-8-17(29-2)9-5-15/h3-13H,1-2H3,(H2,25,26,27,28)
InChIKeyDRWRHIUIHKGQKA-UHFFFAOYSA-N
MW433.49 g/mol
LogP4.96
Rot. Bonds5

About 4-methoxy-N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]sulfanylcarbamoyl]benzamide

4-methoxy-N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]sulfanylcarbamoyl]benzamide (PubChem CID 22300593) has the molecular formula C23H19N3O4S and a molecular weight of 433.49 g/mol. Its IUPAC name is 4-methoxy-N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]sulfanylcarbamoyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]sulfanylcarbamoyl]benzamide
PubChem CID22300593
Molecular FormulaC23H19N3O4S
Molecular Weight433.49 g/mol
Exact Mass433.11
IUPAC Name4-methoxy-N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]sulfanylcarbamoyl]benzamide
SMILESCOc1ccc(C(=O)NC(=O)NSc2ccc(-c3nc4ccc(C)cc4o3)cc2)cc1
InChIInChI=1S/C23H19N3O4S/c1-14-3-12-19-20(13-14)30-22(24-19)16-6-10-18(11-7-16)31-26-23(28)25-21(27)15-4-8-17(29-2)9-5-15/h3-13H,1-2H3,(H2,25,26,27,28)
InChIKeyDRWRHIUIHKGQKA-UHFFFAOYSA-N
XLogP4.96
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide
CID 1496908
N-[[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-methylbenzamide
CID 4265600
N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-phenylbenzamide
CID 3125064
N-[[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-6-yl]carbamothioyl]-4-methylbenzamide
CID 73254672
3-bromo-4-methoxy-N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide
CID 2279804
2-hydroxy-1-[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]ethanone
CID 149261528
6-methoxy-2-(3-methylphenyl)-1,3-benzoxazole
CID 135041335
3,4-dimethoxy-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 1114227
N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide
CID 1361397
N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-4-carboxamide
CID 3137642
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 17100800
4-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 5017384

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]sulfanylcarbamoyl]benzamide?
The IUPAC name of 4-methoxy-N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]sulfanylcarbamoyl]benzamide (CID 22300593) is 4-methoxy-N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]sulfanylcarbamoyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]sulfanylcarbamoyl]benzamide?
The canonical SMILES for 4-methoxy-N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]sulfanylcarbamoyl]benzamide is COc1ccc(C(=O)NC(=O)NSc2ccc(-c3nc4ccc(C)cc4o3)cc2)cc1.
What is the InChIKey of 4-methoxy-N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]sulfanylcarbamoyl]benzamide?
The InChIKey is DRWRHIUIHKGQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4S/c1-14-3-12-19-20(13-14)30-22(24-19)16-6-10-18(11-7-16)31-26-23(28)25-21(27)15-4-8-17(29-2)9-5-15/h3-13H,1-2H3,(H2,25,26,27,28).
What are the key properties of 4-methoxy-N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]sulfanylcarbamoyl]benzamide?
4-methoxy-N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]sulfanylcarbamoyl]benzamide has a molecular weight of 433.49 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]sulfanylcarbamoyl]benzamide is sourced from PubChem (CID 22300593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).