[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate

C17H17N5O3S — CID 8677753

IUPAC[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate
SMILESCc1ccc(NC(=O)[C@H](C)OC(=O)Cn2nnc(-c3ccsc3)n2)cc1
InChIInChI=1S/C17H17N5O3S/c1-11-3-5-14(6-4-11)18-17(24)12(2)25-15(23)9-22-20-16(19-21-22)13-7-8-26-10-13/h3-8,10,12H,9H2,1-2H3,(H,18,24)/t12-/m0/s1
InChIKeyAQLJAKHYIHVTFF-LBPRGKRZSA-N
MW371.42 g/mol
LogP2.28
Rot. Bonds6

About [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate

[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate (PubChem CID 8677753) has the molecular formula C17H17N5O3S and a molecular weight of 371.42 g/mol. Its IUPAC name is [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate.

Molecular Properties

Compound Name[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate
PubChem CID8677753
Molecular FormulaC17H17N5O3S
Molecular Weight371.42 g/mol
Exact Mass371.11
IUPAC Name[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate
SMILESCc1ccc(NC(=O)[C@H](C)OC(=O)Cn2nnc(-c3ccsc3)n2)cc1
InChIInChI=1S/C17H17N5O3S/c1-11-3-5-14(6-4-11)18-17(24)12(2)25-15(23)9-22-20-16(19-21-22)13-7-8-26-10-13/h3-8,10,12H,9H2,1-2H3,(H,18,24)/t12-/m0/s1
InChIKeyAQLJAKHYIHVTFF-LBPRGKRZSA-N
XLogP2.28
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate 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

[(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate
CID 8677834
[(2S)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
CID 8825735
methyl 4-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]benzoate
CID 9128050
N-(4-fluorophenyl)-2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]acetamide
CID 9128274
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-(3,5-dimethylpyrazol-1-yl)acetate
CID 27727127
2-(5-thiophen-3-yltetrazol-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 9128049
N-(3-chloro-4-methylphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 9127998
[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
CID 8825741
[2-(4-methoxyphenyl)-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate
CID 8677789
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
CID 8825649
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9130088
[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate
CID 8677773

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate?
The IUPAC name of [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate (CID 8677753) is [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate.
What is the SMILES notation for [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate?
The canonical SMILES for [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate is Cc1ccc(NC(=O)[C@H](C)OC(=O)Cn2nnc(-c3ccsc3)n2)cc1.
What is the InChIKey of [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate?
The InChIKey is AQLJAKHYIHVTFF-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H17N5O3S/c1-11-3-5-14(6-4-11)18-17(24)12(2)25-15(23)9-22-20-16(19-21-22)13-7-8-26-10-13/h3-8,10,12H,9H2,1-2H3,(H,18,24)/t12-/m0/s1.
What are the key properties of [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate?
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate has a molecular weight of 371.42 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate is sourced from PubChem (CID 8677753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).