ethyl 2-(N-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]anilino)acetate

C14H17N5O3S — CID 8934279

IUPACethyl 2-(N-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]anilino)acetate
SMILESCCOC(=O)CN(C(=O)CSc1nnnn1C)c1ccccc1
InChIInChI=1S/C14H17N5O3S/c1-3-22-13(21)9-19(11-7-5-4-6-8-11)12(20)10-23-14-15-16-17-18(14)2/h4-8H,3,9-10H2,1-2H3
InChIKeyANPHJWKMUZZQRF-UHFFFAOYSA-N
MW335.39 g/mol
LogP0.90
Rot. Bonds7

About ethyl 2-(N-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]anilino)acetate

ethyl 2-(N-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]anilino)acetate (PubChem CID 8934279) has the molecular formula C14H17N5O3S and a molecular weight of 335.39 g/mol. Its IUPAC name is ethyl 2-(N-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]anilino)acetate.

Molecular Properties

Compound Nameethyl 2-(N-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]anilino)acetate
PubChem CID8934279
Molecular FormulaC14H17N5O3S
Molecular Weight335.39 g/mol
Exact Mass335.11
IUPAC Nameethyl 2-(N-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]anilino)acetate
SMILESCCOC(=O)CN(C(=O)CSc1nnnn1C)c1ccccc1
InChIInChI=1S/C14H17N5O3S/c1-3-22-13(21)9-19(11-7-5-4-6-8-11)12(20)10-23-14-15-16-17-18(14)2/h4-8H,3,9-10H2,1-2H3
InChIKeyANPHJWKMUZZQRF-UHFFFAOYSA-N
XLogP0.90
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 2-(N-[2-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]anilino)acetate
CID 55304454
ethyl 2-(N-[2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]anilino)acetate
CID 3173058
ethyl 2-(N-[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl]anilino)acetate
CID 55547450
ethyl 2-(N-[2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl]anilino)acetate
CID 6413138
ethyl 2-(N-[2-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]anilino)acetate
CID 55321004
N-(4-aminophenyl)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 43376991
(2R)-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylpropanamide
CID 2673778
ethyl 2-(N-[2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]anilino)acetate
CID 55321708
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-ethyl-N-phenylacetamide
CID 2610496
N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2646063
ethyl 2-(N-[2-[1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanylacetyl]anilino)acetate
CID 3168738
ethyl 2-(N-[2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]anilino)acetate
CID 3181386

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(N-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]anilino)acetate?
The IUPAC name of ethyl 2-(N-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]anilino)acetate (CID 8934279) is ethyl 2-(N-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]anilino)acetate.
What is the SMILES notation for ethyl 2-(N-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]anilino)acetate?
The canonical SMILES for ethyl 2-(N-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]anilino)acetate is CCOC(=O)CN(C(=O)CSc1nnnn1C)c1ccccc1.
What is the InChIKey of ethyl 2-(N-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]anilino)acetate?
The InChIKey is ANPHJWKMUZZQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3S/c1-3-22-13(21)9-19(11-7-5-4-6-8-11)12(20)10-23-14-15-16-17-18(14)2/h4-8H,3,9-10H2,1-2H3.
What are the key properties of ethyl 2-(N-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]anilino)acetate?
ethyl 2-(N-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]anilino)acetate has a molecular weight of 335.39 g/mol, XLogP of 0.90, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(N-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]anilino)acetate is sourced from PubChem (CID 8934279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).