N-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide

C17H18N6O4S — CID 55633392

IUPACN-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESCON(C)S(=O)(=O)c1ccc(NC(=O)Cc2ccc(-n3cnnn3)cc2)cc1
InChIInChI=1S/C17H18N6O4S/c1-22(27-2)28(25,26)16-9-5-14(6-10-16)19-17(24)11-13-3-7-15(8-4-13)23-12-18-20-21-23/h3-10,12H,11H2,1-2H3,(H,19,24)
InChIKeyNHMYPGHYANQUDQ-UHFFFAOYSA-N
MW402.44 g/mol
LogP1.03
Rot. Bonds7

About N-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide

N-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 55633392) has the molecular formula C17H18N6O4S and a molecular weight of 402.44 g/mol. Its IUPAC name is N-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
PubChem CID55633392
Molecular FormulaC17H18N6O4S
Molecular Weight402.44 g/mol
Exact Mass402.11
IUPAC NameN-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESCON(C)S(=O)(=O)c1ccc(NC(=O)Cc2ccc(-n3cnnn3)cc2)cc1
InChIInChI=1S/C17H18N6O4S/c1-22(27-2)28(25,26)16-9-5-14(6-10-16)19-17(24)11-13-3-7-15(8-4-13)23-12-18-20-21-23/h3-10,12H,11H2,1-2H3,(H,19,24)
InChIKeyNHMYPGHYANQUDQ-UHFFFAOYSA-N
XLogP1.03
TPSA119.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.44
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 30599818
2-(3,4-dimethylphenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 18079837
N-[4-(tetrazol-1-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7930070
3-[4-(dimethylamino)phenyl]-N-[4-(tetrazol-1-yl)phenyl]propanamide
CID 24555376
N-[4-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]phenyl]furan-2-carboxamide
CID 30896780
2-[4-(tetrazol-1-yl)phenyl]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 78863578
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide
CID 55780506
2-(4-acetamidophenyl)-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 33001295
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 47025716
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55631238
N-(9-ethylcarbazol-3-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 52576497
N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 30876231

Frequently Asked Questions

What is the IUPAC name of N-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of N-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide (CID 55633392) is N-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for N-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide is CON(C)S(=O)(=O)c1ccc(NC(=O)Cc2ccc(-n3cnnn3)cc2)cc1.
What is the InChIKey of N-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is NHMYPGHYANQUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O4S/c1-22(27-2)28(25,26)16-9-5-14(6-10-16)19-17(24)11-13-3-7-15(8-4-13)23-12-18-20-21-23/h3-10,12H,11H2,1-2H3,(H,19,24).
What are the key properties of N-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
N-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 402.44 g/mol, XLogP of 1.03, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 55633392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).