N-benzyl-2-(1-ethyltetrazol-5-yl)sulfanylacetamide

C12H15N5OS — CID 864271

IUPACN-benzyl-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
SMILESCCn1nnnc1SCC(=O)NCc1ccccc1
InChIInChI=1S/C12H15N5OS/c1-2-17-12(14-15-16-17)19-9-11(18)13-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,18)
InChIKeyWZFBAECBWBRINS-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.10
Rot. Bonds6

About N-benzyl-2-(1-ethyltetrazol-5-yl)sulfanylacetamide

N-benzyl-2-(1-ethyltetrazol-5-yl)sulfanylacetamide (PubChem CID 864271) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is N-benzyl-2-(1-ethyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
PubChem CID864271
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC NameN-benzyl-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
SMILESCCn1nnnc1SCC(=O)NCc1ccccc1
InChIInChI=1S/C12H15N5OS/c1-2-17-12(14-15-16-17)19-9-11(18)13-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,18)
InChIKeyWZFBAECBWBRINS-UHFFFAOYSA-N
XLogP1.10
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 18140656
N-benzyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2420493
N-benzyl-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1071688
N-benzyl-2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 855198
2-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-benzylacetamide
CID 63313409
2-(1-benzyltetrazol-5-yl)sulfanyl-N-(propylcarbamoyl)acetamide
CID 27136248
N-benzyl-2-(1-naphthalen-2-yltetrazol-5-yl)sulfanylacetamide
CID 16649457
N-(4-acetamidophenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
CID 1239751
2-(1-benzyltetrazol-5-yl)sulfanyl-N-tert-butylacetamide
CID 51258381
N-benzyl-2-[[4-ethyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1307316
2-(1-ethyltetrazol-5-yl)sulfanyl-N-(2-methoxyphenyl)acetamide
CID 864272
N-[3-[[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]propanamide
CID 3169643

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(1-ethyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-benzyl-2-(1-ethyltetrazol-5-yl)sulfanylacetamide (CID 864271) is N-benzyl-2-(1-ethyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-benzyl-2-(1-ethyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-benzyl-2-(1-ethyltetrazol-5-yl)sulfanylacetamide is CCn1nnnc1SCC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(1-ethyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is WZFBAECBWBRINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c1-2-17-12(14-15-16-17)19-9-11(18)13-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,18).
What are the key properties of N-benzyl-2-(1-ethyltetrazol-5-yl)sulfanylacetamide?
N-benzyl-2-(1-ethyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 277.35 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(1-ethyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 864271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).