N-benzyl-N-ethyl-3-[(1-methyltetrazol-5-yl)methylsulfanyl]propanamide

C15H21N5OS — CID 21295275

IUPACN-benzyl-N-ethyl-3-[(1-methyltetrazol-5-yl)methylsulfanyl]propanamide
SMILESCCN(Cc1ccccc1)C(=O)CCSCc1nnnn1C
InChIInChI=1S/C15H21N5OS/c1-3-20(11-13-7-5-4-6-8-13)15(21)9-10-22-12-14-16-17-18-19(14)2/h4-8H,3,9-12H2,1-2H3
InChIKeyNKZBFTBJNQAUNJ-UHFFFAOYSA-N
MW319.43 g/mol
LogP1.88
Rot. Bonds8

About N-benzyl-N-ethyl-3-[(1-methyltetrazol-5-yl)methylsulfanyl]propanamide

N-benzyl-N-ethyl-3-[(1-methyltetrazol-5-yl)methylsulfanyl]propanamide (PubChem CID 21295275) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is N-benzyl-N-ethyl-3-[(1-methyltetrazol-5-yl)methylsulfanyl]propanamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-3-[(1-methyltetrazol-5-yl)methylsulfanyl]propanamide
PubChem CID21295275
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC NameN-benzyl-N-ethyl-3-[(1-methyltetrazol-5-yl)methylsulfanyl]propanamide
SMILESCCN(Cc1ccccc1)C(=O)CCSCc1nnnn1C
InChIInChI=1S/C15H21N5OS/c1-3-20(11-13-7-5-4-6-8-13)15(21)9-10-22-12-14-16-17-18-19(14)2/h4-8H,3,9-12H2,1-2H3
InChIKeyNKZBFTBJNQAUNJ-UHFFFAOYSA-N
XLogP1.88
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-benzyl-N-ethyl-3-[(1-methyltetrazol-5-yl)methylsulfanyl]propanamide 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-ethyl-N-(2-hydroxyethyl)-3-[(1-methyltetrazol-5-yl)methylsulfanyl]propanamide
CID 21295617
N,N-dibenzyl-2-(1-methyltetrazol-5-yl)acetamide
CID 110498373
N,N'-dibenzyl-N,N'-diethylpentanediamide
CID 68902262
2-(2-aminoethylsulfanyl)-N-benzyl-N-ethylacetamide
CID 43249408
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
N-ethyl-3-(1-methyltetrazol-5-yl)sulfanyl-N-[(E)-3-phenylprop-2-enyl]propanamide
CID 46983852
2-amino-4-[2-[benzyl(ethyl)amino]-2-oxoethyl]sulfanylbutanoic acid
CID 60929403
2-(benzotriazol-1-yl)-N-benzyl-N-ethylacetamide
CID 166191100
N-benzyl-N-ethyl-2-phenylsulfanylacetamide
CID 1122625
3-[(1-phenyltetrazol-5-yl)methylsulfanyl]propanoic acid
CID 13208288
N-benzyl-5-chloro-N-ethylpentanamide
CID 28727812
2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-benzyl-N-ethylacetamide
CID 60732754

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-3-[(1-methyltetrazol-5-yl)methylsulfanyl]propanamide?
The IUPAC name of N-benzyl-N-ethyl-3-[(1-methyltetrazol-5-yl)methylsulfanyl]propanamide (CID 21295275) is N-benzyl-N-ethyl-3-[(1-methyltetrazol-5-yl)methylsulfanyl]propanamide.
What is the SMILES notation for N-benzyl-N-ethyl-3-[(1-methyltetrazol-5-yl)methylsulfanyl]propanamide?
The canonical SMILES for N-benzyl-N-ethyl-3-[(1-methyltetrazol-5-yl)methylsulfanyl]propanamide is CCN(Cc1ccccc1)C(=O)CCSCc1nnnn1C.
What is the InChIKey of N-benzyl-N-ethyl-3-[(1-methyltetrazol-5-yl)methylsulfanyl]propanamide?
The InChIKey is NKZBFTBJNQAUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-3-20(11-13-7-5-4-6-8-13)15(21)9-10-22-12-14-16-17-18-19(14)2/h4-8H,3,9-12H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-3-[(1-methyltetrazol-5-yl)methylsulfanyl]propanamide?
N-benzyl-N-ethyl-3-[(1-methyltetrazol-5-yl)methylsulfanyl]propanamide has a molecular weight of 319.43 g/mol, XLogP of 1.88, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-3-[(1-methyltetrazol-5-yl)methylsulfanyl]propanamide is sourced from PubChem (CID 21295275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).