N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide

C16H15N5O3S — CID 9128319

IUPACN-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
SMILESC[C@H](NC(=O)Cn1nnc(-c2ccsc2)n1)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H15N5O3S/c1-10(11-2-3-13-14(6-11)24-9-23-13)17-15(22)7-21-19-16(18-20-21)12-4-5-25-8-12/h2-6,8,10H,7,9H2,1H3,(H,17,22)/t10-/m0/s1
InChIKeyVFKLNSYUJWVGMT-JTQLQIEISA-N
MW357.40 g/mol
LogP2.01
Rot. Bonds5

About N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide

N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide (PubChem CID 9128319) has the molecular formula C16H15N5O3S and a molecular weight of 357.40 g/mol. Its IUPAC name is N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
PubChem CID9128319
Molecular FormulaC16H15N5O3S
Molecular Weight357.40 g/mol
Exact Mass357.09
IUPAC NameN-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
SMILESC[C@H](NC(=O)Cn1nnc(-c2ccsc2)n1)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H15N5O3S/c1-10(11-2-3-13-14(6-11)24-9-23-13)17-15(22)7-21-19-16(18-20-21)12-4-5-25-8-12/h2-6,8,10H,7,9H2,1H3,(H,17,22)/t10-/m0/s1
InChIKeyVFKLNSYUJWVGMT-JTQLQIEISA-N
XLogP2.01
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide 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

N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 16517224
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 8642989
N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 9128298
N-[(1R)-1-(4-ethylphenyl)ethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 9128343
3-methyl-4-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]butanoic acid
CID 81065022
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-chloroacetamide
CID 3554698
N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 41037329
2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-(2,6-dimethylphenyl)acetamide
CID 1086744
N-(2-ethylbutyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 115612942
N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-methoxyacetamide
CID 35079410
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 8543601
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(propylamino)acetamide
CID 60648461

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide?
The IUPAC name of N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide (CID 9128319) is N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide?
The canonical SMILES for N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide is C[C@H](NC(=O)Cn1nnc(-c2ccsc2)n1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide?
The InChIKey is VFKLNSYUJWVGMT-JTQLQIEISA-N. The full InChI is InChI=1S/C16H15N5O3S/c1-10(11-2-3-13-14(6-11)24-9-23-13)17-15(22)7-21-19-16(18-20-21)12-4-5-25-8-12/h2-6,8,10H,7,9H2,1H3,(H,17,22)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide?
N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide has a molecular weight of 357.40 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide is sourced from PubChem (CID 9128319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).