2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide

C19H21N7O4S — CID 55780506

IUPAC2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(-n3cnnn3)ccc2C)cc1
InChIInChI=1S/C19H21N7O4S/c1-13-4-7-16(26-12-20-23-24-26)10-18(13)22-19(28)11-25(3)31(29,30)17-8-5-15(6-9-17)21-14(2)27/h4-10,12H,11H2,1-3H3,(H,21,27)(H,22,28)
InChIKeyOVJOWBJSUHRYHH-UHFFFAOYSA-N
MW443.49 g/mol
LogP1.19
Rot. Bonds7

About 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide

2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 55780506) has the molecular formula C19H21N7O4S and a molecular weight of 443.49 g/mol. Its IUPAC name is 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide
PubChem CID55780506
Molecular FormulaC19H21N7O4S
Molecular Weight443.49 g/mol
Exact Mass443.14
IUPAC Name2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(-n3cnnn3)ccc2C)cc1
InChIInChI=1S/C19H21N7O4S/c1-13-4-7-16(26-12-20-23-24-26)10-18(13)22-19(28)11-25(3)31(29,30)17-8-5-15(6-9-17)21-14(2)27/h4-10,12H,11H2,1-3H3,(H,21,27)(H,22,28)
InChIKeyOVJOWBJSUHRYHH-UHFFFAOYSA-N
XLogP1.19
TPSA139.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.49
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 30599818
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide
CID 55780634
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 24664110
N-[2-methyl-5-(tetrazol-1-yl)phenyl]-2-(prop-2-enylamino)acetamide
CID 79285286
N-[3-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]amino]-4-methylphenyl]propanamide
CID 55725015
2-(tert-butylamino)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide
CID 78923820
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(4-imidazol-1-ylphenyl)acetamide
CID 55531022
N-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55633392
N-[2-methyl-5-(tetrazol-1-yl)phenyl]benzamide
CID 60789520
2-[methyl-[3-(tetrazol-1-yl)phenyl]sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 51126990
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide
CID 100790294
N-[2-methyl-4-(tetrazol-1-yl)phenyl]propanamide
CID 865674

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide (CID 55780506) is 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(-n3cnnn3)ccc2C)cc1.
What is the InChIKey of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is OVJOWBJSUHRYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O4S/c1-13-4-7-16(26-12-20-23-24-26)10-18(13)22-19(28)11-25(3)31(29,30)17-8-5-15(6-9-17)21-14(2)27/h4-10,12H,11H2,1-3H3,(H,21,27)(H,22,28).
What are the key properties of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide?
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 443.49 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 55780506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).