2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[4-(tetrazol-1-yl)phenyl]acetamide

C18H18N6O4S — CID 30599818

IUPAC2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(-n3cnnn3)cc2)cc1
InChIInChI=1S/C18H18N6O4S/c1-13(25)14-3-9-17(10-4-14)29(27,28)23(2)11-18(26)20-15-5-7-16(8-6-15)24-12-19-21-22-24/h3-10,12H,11H2,1-2H3,(H,20,26)
InChIKeyGDSBIWLSAUMHGO-UHFFFAOYSA-N
MW414.45 g/mol
LogP1.12
Rot. Bonds7

About 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[4-(tetrazol-1-yl)phenyl]acetamide

2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[4-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 30599818) has the molecular formula C18H18N6O4S and a molecular weight of 414.45 g/mol. Its IUPAC name is 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[4-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[4-(tetrazol-1-yl)phenyl]acetamide
PubChem CID30599818
Molecular FormulaC18H18N6O4S
Molecular Weight414.45 g/mol
Exact Mass414.11
IUPAC Name2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(-n3cnnn3)cc2)cc1
InChIInChI=1S/C18H18N6O4S/c1-13(25)14-3-9-17(10-4-14)29(27,28)23(2)11-18(26)20-15-5-7-16(8-6-15)24-12-19-21-22-24/h3-10,12H,11H2,1-2H3,(H,20,26)
InChIKeyGDSBIWLSAUMHGO-UHFFFAOYSA-N
XLogP1.12
TPSA127.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.45
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[4-(tetrazol-1-yl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide
CID 55780506
N-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55633392
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-tert-butylphenyl)acetamide
CID 7919004
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 24664110
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 2695434
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 43052185
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(4-imidazol-1-ylphenyl)acetamide
CID 55531022
4-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]amino]-N-cyclopropylbenzamide
CID 30601398
N-[3-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]amino]-4-methylphenyl]propanamide
CID 55725015
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]acetamide
CID 55534083
3-chloro-N-[4-(tetrazol-1-yl)phenyl]propanamide
CID 43167870
N-[4-(dimethylsulfamoyl)phenyl]-3-(tetrazol-1-yl)benzamide
CID 9494536

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[4-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[4-(tetrazol-1-yl)phenyl]acetamide (CID 30599818) is 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[4-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[4-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[4-(tetrazol-1-yl)phenyl]acetamide is CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(-n3cnnn3)cc2)cc1.
What is the InChIKey of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[4-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is GDSBIWLSAUMHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O4S/c1-13(25)14-3-9-17(10-4-14)29(27,28)23(2)11-18(26)20-15-5-7-16(8-6-15)24-12-19-21-22-24/h3-10,12H,11H2,1-2H3,(H,20,26).
What are the key properties of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[4-(tetrazol-1-yl)phenyl]acetamide?
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[4-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 414.45 g/mol, XLogP of 1.12, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[4-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 30599818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).