2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide

C18H18N6O2S — CID 16571741

IUPAC2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
SMILESN#CCCN(Cc1ccco1)C(=O)CSc1nnnn1Cc1ccccc1
InChIInChI=1S/C18H18N6O2S/c19-9-5-10-23(13-16-8-4-11-26-16)17(25)14-27-18-20-21-22-24(18)12-15-6-2-1-3-7-15/h1-4,6-8,11H,5,10,12-14H2
InChIKeyHMTDVAOFTUJNLL-UHFFFAOYSA-N
MW382.45 g/mol
LogP2.35
Rot. Bonds9

About 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide

2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide (PubChem CID 16571741) has the molecular formula C18H18N6O2S and a molecular weight of 382.45 g/mol. Its IUPAC name is 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
PubChem CID16571741
Molecular FormulaC18H18N6O2S
Molecular Weight382.45 g/mol
Exact Mass382.12
IUPAC Name2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
SMILESN#CCCN(Cc1ccco1)C(=O)CSc1nnnn1Cc1ccccc1
InChIInChI=1S/C18H18N6O2S/c19-9-5-10-23(13-16-8-4-11-26-16)17(25)14-27-18-20-21-22-24(18)12-15-6-2-1-3-7-15/h1-4,6-8,11H,5,10,12-14H2
InChIKeyHMTDVAOFTUJNLL-UHFFFAOYSA-N
XLogP2.35
TPSA100.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
CID 24522034
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 35349516
N-ethyl-N-[(3-fluorophenyl)methyl]-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 18140830
2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
CID 63679913
N-(2-cyanoethyl)-2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 30037153
N-[[4-(dimethylamino)phenyl]methyl]-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-methylacetamide
CID 41493019
N-benzyl-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 18140656
2-(1-benzyltetrazol-5-yl)sulfanylacetic acid
CID 10800661
2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)acetamide
CID 55587514
4-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide
CID 54874085
2-(1-benzyltetrazol-5-yl)sulfanylacetamide
CID 893684
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide
CID 60520035

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide (CID 16571741) is 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide is N#CCCN(Cc1ccco1)C(=O)CSc1nnnn1Cc1ccccc1.
What is the InChIKey of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is HMTDVAOFTUJNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2S/c19-9-5-10-23(13-16-8-4-11-26-16)17(25)14-27-18-20-21-22-24(18)12-15-6-2-1-3-7-15/h1-4,6-8,11H,5,10,12-14H2.
What are the key properties of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide?
2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 382.45 g/mol, XLogP of 2.35, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 16571741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).