(1-propyltetrazol-5-yl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate

C16H23N5O5S — CID 18204568

IUPAC(1-propyltetrazol-5-yl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
SMILESCCCn1nnnc1COC(=O)CCNS(=O)(=O)c1ccc(OCC)cc1
InChIInChI=1S/C16H23N5O5S/c1-3-11-21-15(18-19-20-21)12-26-16(22)9-10-17-27(23,24)14-7-5-13(6-8-14)25-4-2/h5-8,17H,3-4,9-12H2,1-2H3
InChIKeyCVUPRRADVJDHCR-UHFFFAOYSA-N
MW397.46 g/mol
LogP0.89
Rot. Bonds11

About (1-propyltetrazol-5-yl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate

(1-propyltetrazol-5-yl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate (PubChem CID 18204568) has the molecular formula C16H23N5O5S and a molecular weight of 397.46 g/mol. Its IUPAC name is (1-propyltetrazol-5-yl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name(1-propyltetrazol-5-yl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
PubChem CID18204568
Molecular FormulaC16H23N5O5S
Molecular Weight397.46 g/mol
Exact Mass397.14
IUPAC Name(1-propyltetrazol-5-yl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
SMILESCCCn1nnnc1COC(=O)CCNS(=O)(=O)c1ccc(OCC)cc1
InChIInChI=1S/C16H23N5O5S/c1-3-11-21-15(18-19-20-21)12-26-16(22)9-10-17-27(23,24)14-7-5-13(6-8-14)25-4-2/h5-8,17H,3-4,9-12H2,1-2H3
InChIKeyCVUPRRADVJDHCR-UHFFFAOYSA-N
XLogP0.89
TPSA125.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

(1-propyltetrazol-5-yl)methyl 2-[(4-acetylphenyl)sulfonylamino]acetate
CID 55401533
(1-propyltetrazol-5-yl)methyl 4-(4-methoxyphenoxy)butanoate
CID 55402770
(4-phenylphenyl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 18226800
(4-cyanophenyl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 3665647
(1-propyltetrazol-5-yl)methyl 2-phenoxyacetate
CID 55397419
2-(4-methylphenoxy)ethyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 35792619
(1-propyltetrazol-5-yl)methyl 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetate
CID 55399245
[2-oxo-2-(propan-2-ylamino)ethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 35792599
(1,3-dioxoisoindol-2-yl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 2570645
3-[(4-ethoxyphenyl)sulfonylamino]-N-propylpropanamide
CID 18104811
1-benzothiophen-3-ylmethyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 55884702
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 5199971

Frequently Asked Questions

What is the IUPAC name of (1-propyltetrazol-5-yl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate?
The IUPAC name of (1-propyltetrazol-5-yl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate (CID 18204568) is (1-propyltetrazol-5-yl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate.
What is the SMILES notation for (1-propyltetrazol-5-yl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate?
The canonical SMILES for (1-propyltetrazol-5-yl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate is CCCn1nnnc1COC(=O)CCNS(=O)(=O)c1ccc(OCC)cc1.
What is the InChIKey of (1-propyltetrazol-5-yl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate?
The InChIKey is CVUPRRADVJDHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O5S/c1-3-11-21-15(18-19-20-21)12-26-16(22)9-10-17-27(23,24)14-7-5-13(6-8-14)25-4-2/h5-8,17H,3-4,9-12H2,1-2H3.
What are the key properties of (1-propyltetrazol-5-yl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate?
(1-propyltetrazol-5-yl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate has a molecular weight of 397.46 g/mol, XLogP of 0.89, 11 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 3-[(4-ethoxyphenyl)sulfonylamino]propanoate is sourced from PubChem (CID 18204568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).