2-methyl-N-[(4-sulfamoylphenyl)methyl]-1,3-benzoxazole-6-carboxamide

C16H15N3O4S — CID 77087766

IUPAC2-methyl-N-[(4-sulfamoylphenyl)methyl]-1,3-benzoxazole-6-carboxamide
SMILESCc1nc2ccc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)cc2o1
InChIInChI=1S/C16H15N3O4S/c1-10-19-14-7-4-12(8-15(14)23-10)16(20)18-9-11-2-5-13(6-3-11)24(17,21)22/h2-8H,9H2,1H3,(H,18,20)(H2,17,21,22)
InChIKeyYODDBAQVHBZCSI-UHFFFAOYSA-N
MW345.38 g/mol
LogP1.71
Rot. Bonds4

About 2-methyl-N-[(4-sulfamoylphenyl)methyl]-1,3-benzoxazole-6-carboxamide

2-methyl-N-[(4-sulfamoylphenyl)methyl]-1,3-benzoxazole-6-carboxamide (PubChem CID 77087766) has the molecular formula C16H15N3O4S and a molecular weight of 345.38 g/mol. Its IUPAC name is 2-methyl-N-[(4-sulfamoylphenyl)methyl]-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(4-sulfamoylphenyl)methyl]-1,3-benzoxazole-6-carboxamide
PubChem CID77087766
Molecular FormulaC16H15N3O4S
Molecular Weight345.38 g/mol
Exact Mass345.08
IUPAC Name2-methyl-N-[(4-sulfamoylphenyl)methyl]-1,3-benzoxazole-6-carboxamide
SMILESCc1nc2ccc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)cc2o1
InChIInChI=1S/C16H15N3O4S/c1-10-19-14-7-4-12(8-15(14)23-10)16(20)18-9-11-2-5-13(6-3-11)24(17,21)22/h2-8H,9H2,1H3,(H,18,20)(H2,17,21,22)
InChIKeyYODDBAQVHBZCSI-UHFFFAOYSA-N
XLogP1.71
TPSA115.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[(4-sulfamoylphenyl)methyl]-1,3-benzothiazole-6-carboxamide
CID 28934838
2,6-dichloro-N-[(4-sulfamoylphenyl)methyl]pyridine-4-carboxamide
CID 84580537
2-methyl-N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]-1,3-benzoxazole-6-carboxamide
CID 99933479
4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 3581074
2-oxo-N-[(4-sulfamoylphenyl)methyl]-3H-1,3-benzoxazole-5-carboxamide
CID 110766627
N-[2-(4-sulfamoylphenyl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 110765059
N-[(4-sulfamoylphenyl)methyl]-1H-indazole-5-carboxamide
CID 18447408
1-propan-2-yl-N-[(4-sulfamoylphenyl)methyl]indole-5-carboxamide
CID 71703823
4-chloro-3-sulfamoyl-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 2566555
4-fluoro-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 759573
2-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]benzamide
CID 110785096
2-methyl-1,3-benzoxazole-6-carboxamide
CID 82490560

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4-sulfamoylphenyl)methyl]-1,3-benzoxazole-6-carboxamide?
The IUPAC name of 2-methyl-N-[(4-sulfamoylphenyl)methyl]-1,3-benzoxazole-6-carboxamide (CID 77087766) is 2-methyl-N-[(4-sulfamoylphenyl)methyl]-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for 2-methyl-N-[(4-sulfamoylphenyl)methyl]-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for 2-methyl-N-[(4-sulfamoylphenyl)methyl]-1,3-benzoxazole-6-carboxamide is Cc1nc2ccc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)cc2o1.
What is the InChIKey of 2-methyl-N-[(4-sulfamoylphenyl)methyl]-1,3-benzoxazole-6-carboxamide?
The InChIKey is YODDBAQVHBZCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S/c1-10-19-14-7-4-12(8-15(14)23-10)16(20)18-9-11-2-5-13(6-3-11)24(17,21)22/h2-8H,9H2,1H3,(H,18,20)(H2,17,21,22).
What are the key properties of 2-methyl-N-[(4-sulfamoylphenyl)methyl]-1,3-benzoxazole-6-carboxamide?
2-methyl-N-[(4-sulfamoylphenyl)methyl]-1,3-benzoxazole-6-carboxamide has a molecular weight of 345.38 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-sulfamoylphenyl)methyl]-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 77087766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).