2-(1-benzyltetrazol-5-yl)sulfanyl-N-(propylcarbamoyl)acetamide

C14H18N6O2S — CID 27136248

IUPAC2-(1-benzyltetrazol-5-yl)sulfanyl-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CSc1nnnn1Cc1ccccc1
InChIInChI=1S/C14H18N6O2S/c1-2-8-15-13(22)16-12(21)10-23-14-17-18-19-20(14)9-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H2,15,16,21,22)
InChIKeyLOLLRMSUAZVEMF-UHFFFAOYSA-N
MW334.41 g/mol
LogP1.05
Rot. Bonds7

About 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(propylcarbamoyl)acetamide

2-(1-benzyltetrazol-5-yl)sulfanyl-N-(propylcarbamoyl)acetamide (PubChem CID 27136248) has the molecular formula C14H18N6O2S and a molecular weight of 334.41 g/mol. Its IUPAC name is 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(propylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(1-benzyltetrazol-5-yl)sulfanyl-N-(propylcarbamoyl)acetamide
PubChem CID27136248
Molecular FormulaC14H18N6O2S
Molecular Weight334.41 g/mol
Exact Mass334.12
IUPAC Name2-(1-benzyltetrazol-5-yl)sulfanyl-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CSc1nnnn1Cc1ccccc1
InChIInChI=1S/C14H18N6O2S/c1-2-8-15-13(22)16-12(21)10-23-14-17-18-19-20(14)9-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H2,15,16,21,22)
InChIKeyLOLLRMSUAZVEMF-UHFFFAOYSA-N
XLogP1.05
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1-benzyltetrazol-5-yl)sulfanyl-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
CID 27137010
2-(1-benzyltetrazol-5-yl)sulfanyl-N-tert-butylacetamide
CID 51258381
2-(1-benzyltetrazol-5-yl)sulfanylacetic acid
CID 10800661
2-(1-benzyltetrazol-5-yl)sulfanylacetamide
CID 893684
2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2,6-dimethylphenyl)acetamide
CID 27135865
2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(propylcarbamoyl)acetamide
CID 2613999
N-benzyl-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
CID 864271
2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-(propylcarbamoyl)acetamide
CID 9360238
2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide
CID 27136190
2-(1-benzyltetrazol-5-yl)sulfanyl-N-[1-(4-bromophenyl)ethyl]acetamide
CID 46673009
2-(1-benzyltetrazol-5-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 653360
2-(1-benzyltetrazol-5-yl)sulfanyl-N-(3-methoxyphenyl)acetamide
CID 27135863

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(propylcarbamoyl)acetamide?
The IUPAC name of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(propylcarbamoyl)acetamide (CID 27136248) is 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(propylcarbamoyl)acetamide.
What is the SMILES notation for 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(propylcarbamoyl)acetamide?
The canonical SMILES for 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(propylcarbamoyl)acetamide is CCCNC(=O)NC(=O)CSc1nnnn1Cc1ccccc1.
What is the InChIKey of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(propylcarbamoyl)acetamide?
The InChIKey is LOLLRMSUAZVEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2S/c1-2-8-15-13(22)16-12(21)10-23-14-17-18-19-20(14)9-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H2,15,16,21,22).
What are the key properties of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(propylcarbamoyl)acetamide?
2-(1-benzyltetrazol-5-yl)sulfanyl-N-(propylcarbamoyl)acetamide has a molecular weight of 334.41 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(propylcarbamoyl)acetamide is sourced from PubChem (CID 27136248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).