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

C16H15N3O4S — CID 110765059

IUPACN-[2-(4-sulfamoylphenyl)ethyl]-1,3-benzoxazole-6-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2ccc3ncoc3c2)cc1
InChIInChI=1S/C16H15N3O4S/c17-24(21,22)13-4-1-11(2-5-13)7-8-18-16(20)12-3-6-14-15(9-12)23-10-19-14/h1-6,9-10H,7-8H2,(H,18,20)(H2,17,21,22)
InChIKeyMSYWCLWFCAIOGZ-UHFFFAOYSA-N
MW345.38 g/mol
LogP1.45
Rot. Bonds5

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

N-[2-(4-sulfamoylphenyl)ethyl]-1,3-benzoxazole-6-carboxamide (PubChem CID 110765059) has the molecular formula C16H15N3O4S and a molecular weight of 345.38 g/mol. Its IUPAC name is N-[2-(4-sulfamoylphenyl)ethyl]-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound NameN-[2-(4-sulfamoylphenyl)ethyl]-1,3-benzoxazole-6-carboxamide
PubChem CID110765059
Molecular FormulaC16H15N3O4S
Molecular Weight345.38 g/mol
Exact Mass345.08
IUPAC NameN-[2-(4-sulfamoylphenyl)ethyl]-1,3-benzoxazole-6-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2ccc3ncoc3c2)cc1
InChIInChI=1S/C16H15N3O4S/c17-24(21,22)13-4-1-11(2-5-13)7-8-18-16(20)12-3-6-14-15(9-12)23-10-19-14/h1-6,9-10H,7-8H2,(H,18,20)(H2,17,21,22)
InChIKeyMSYWCLWFCAIOGZ-UHFFFAOYSA-N
XLogP1.45
TPSA115.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1,3-benzoxazol-6-yl)ethyl]-4-chlorobenzamide
CID 110790949
N-[2-(1,3-benzoxazol-6-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110796048
N-[2-(4-sulfamoylphenyl)ethyl]quinoline-7-carboxamide
CID 146077356
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 6420184
N-[2-(1,3-benzoxazol-6-yl)ethyl]-3-(dimethylamino)benzamide
CID 110796046
N-[2-(2-fluorophenyl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 110765045
4-(111C)methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 56961355
3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 2683013
2-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide
CID 84580650
2-(propan-2-ylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide
CID 109247115
3-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 27538652
3-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 670722

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-sulfamoylphenyl)ethyl]-1,3-benzoxazole-6-carboxamide?
The IUPAC name of N-[2-(4-sulfamoylphenyl)ethyl]-1,3-benzoxazole-6-carboxamide (CID 110765059) is N-[2-(4-sulfamoylphenyl)ethyl]-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for N-[2-(4-sulfamoylphenyl)ethyl]-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for N-[2-(4-sulfamoylphenyl)ethyl]-1,3-benzoxazole-6-carboxamide is NS(=O)(=O)c1ccc(CCNC(=O)c2ccc3ncoc3c2)cc1.
What is the InChIKey of N-[2-(4-sulfamoylphenyl)ethyl]-1,3-benzoxazole-6-carboxamide?
The InChIKey is MSYWCLWFCAIOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S/c17-24(21,22)13-4-1-11(2-5-13)7-8-18-16(20)12-3-6-14-15(9-12)23-10-19-14/h1-6,9-10H,7-8H2,(H,18,20)(H2,17,21,22).
What are the key properties of N-[2-(4-sulfamoylphenyl)ethyl]-1,3-benzoxazole-6-carboxamide?
N-[2-(4-sulfamoylphenyl)ethyl]-1,3-benzoxazole-6-carboxamide has a molecular weight of 345.38 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-sulfamoylphenyl)ethyl]-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 110765059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).