(1-propyltetrazol-5-yl)methyl 2-[(4-acetylphenyl)sulfonylamino]acetate

C15H19N5O5S — CID 55401533

IUPAC(1-propyltetrazol-5-yl)methyl 2-[(4-acetylphenyl)sulfonylamino]acetate
SMILESCCCn1nnnc1COC(=O)CNS(=O)(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C15H19N5O5S/c1-3-8-20-14(17-18-19-20)10-25-15(22)9-16-26(23,24)13-6-4-12(5-7-13)11(2)21/h4-7,16H,3,8-10H2,1-2H3
InChIKeyAKRNYPVQELJPOF-UHFFFAOYSA-N
MW381.41 g/mol
LogP0.31
Rot. Bonds9

About (1-propyltetrazol-5-yl)methyl 2-[(4-acetylphenyl)sulfonylamino]acetate

(1-propyltetrazol-5-yl)methyl 2-[(4-acetylphenyl)sulfonylamino]acetate (PubChem CID 55401533) has the molecular formula C15H19N5O5S and a molecular weight of 381.41 g/mol. Its IUPAC name is (1-propyltetrazol-5-yl)methyl 2-[(4-acetylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name(1-propyltetrazol-5-yl)methyl 2-[(4-acetylphenyl)sulfonylamino]acetate
PubChem CID55401533
Molecular FormulaC15H19N5O5S
Molecular Weight381.41 g/mol
Exact Mass381.11
IUPAC Name(1-propyltetrazol-5-yl)methyl 2-[(4-acetylphenyl)sulfonylamino]acetate
SMILESCCCn1nnnc1COC(=O)CNS(=O)(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C15H19N5O5S/c1-3-8-20-14(17-18-19-20)10-25-15(22)9-16-26(23,24)13-6-4-12(5-7-13)11(2)21/h4-7,16H,3,8-10H2,1-2H3
InChIKeyAKRNYPVQELJPOF-UHFFFAOYSA-N
XLogP0.31
TPSA133.14 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

(1-propyltetrazol-5-yl)methyl 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetate
CID 55399245
(1-propyltetrazol-5-yl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 18204568
(1-butyltetrazol-5-yl)methyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate
CID 55701272
(1-butyltetrazol-5-yl)methyl 2-(thiophen-2-ylsulfonylamino)acetate
CID 55624067
(1-butyltetrazol-5-yl)methyl 3-(ethylsulfamoyl)benzoate
CID 30764204
(1-propyltetrazol-5-yl)methyl 4-(dimethylamino)benzoate
CID 55397270
(1-propyltetrazol-5-yl)methyl 2-phenoxyacetate
CID 55397419
(1-propyltetrazol-5-yl)methyl (2S)-2-[(4-bromobenzoyl)amino]propanoate
CID 8880490
[2-(azetidin-1-yl)-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate
CID 166220509
(1-propyltetrazol-5-yl)methyl furan-3-carboxylate
CID 55463280
4-acetyl-N-propylbenzenesulfonamide
CID 2064043
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate
CID 55401511

Frequently Asked Questions

What is the IUPAC name of (1-propyltetrazol-5-yl)methyl 2-[(4-acetylphenyl)sulfonylamino]acetate?
The IUPAC name of (1-propyltetrazol-5-yl)methyl 2-[(4-acetylphenyl)sulfonylamino]acetate (CID 55401533) is (1-propyltetrazol-5-yl)methyl 2-[(4-acetylphenyl)sulfonylamino]acetate.
What is the SMILES notation for (1-propyltetrazol-5-yl)methyl 2-[(4-acetylphenyl)sulfonylamino]acetate?
The canonical SMILES for (1-propyltetrazol-5-yl)methyl 2-[(4-acetylphenyl)sulfonylamino]acetate is CCCn1nnnc1COC(=O)CNS(=O)(=O)c1ccc(C(C)=O)cc1.
What is the InChIKey of (1-propyltetrazol-5-yl)methyl 2-[(4-acetylphenyl)sulfonylamino]acetate?
The InChIKey is AKRNYPVQELJPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O5S/c1-3-8-20-14(17-18-19-20)10-25-15(22)9-16-26(23,24)13-6-4-12(5-7-13)11(2)21/h4-7,16H,3,8-10H2,1-2H3.
What are the key properties of (1-propyltetrazol-5-yl)methyl 2-[(4-acetylphenyl)sulfonylamino]acetate?
(1-propyltetrazol-5-yl)methyl 2-[(4-acetylphenyl)sulfonylamino]acetate has a molecular weight of 381.41 g/mol, XLogP of 0.31, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propyltetrazol-5-yl)methyl 2-[(4-acetylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 55401533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).