N-[3-[[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]propanamide

C14H18N6O2S — CID 3169643

IUPACN-[3-[[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(=O)CSc2nnnn2CC)c1
InChIInChI=1S/C14H18N6O2S/c1-3-12(21)15-10-6-5-7-11(8-10)16-13(22)9-23-14-17-18-19-20(14)4-2/h5-8H,3-4,9H2,1-2H3,(H,15,21)(H,16,22)
InChIKeyZGQBDJKYBPGYER-UHFFFAOYSA-N
MW334.41 g/mol
LogP1.77
Rot. Bonds7

About N-[3-[[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]propanamide

N-[3-[[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]propanamide (PubChem CID 3169643) has the molecular formula C14H18N6O2S and a molecular weight of 334.41 g/mol. Its IUPAC name is N-[3-[[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]propanamide
PubChem CID3169643
Molecular FormulaC14H18N6O2S
Molecular Weight334.41 g/mol
Exact Mass334.12
IUPAC NameN-[3-[[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(=O)CSc2nnnn2CC)c1
InChIInChI=1S/C14H18N6O2S/c1-3-12(21)15-10-6-5-7-11(8-10)16-13(22)9-23-14-17-18-19-20(14)4-2/h5-8H,3-4,9H2,1-2H3,(H,15,21)(H,16,22)
InChIKeyZGQBDJKYBPGYER-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-[[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]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-[3-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]propanamide
CID 650332
N-(4-acetamidophenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
CID 1239751
N-[3-[[2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]phenyl]propanamide
CID 1175654
2-(1-ethyltetrazol-5-yl)sulfanyl-N-(2-methoxyphenyl)acetamide
CID 864272
2-(1-benzyltetrazol-5-yl)sulfanyl-N-(3-methoxyphenyl)acetamide
CID 27135863
N-benzyl-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
CID 864271
2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 37045599
2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(3-propan-2-ylphenyl)acetamide
CID 24601610
N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
CID 49152046
N-[3-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]propanamide
CID 46568360
(2R)-2-(1-ethyltetrazol-5-yl)sulfanyl-N-(3-methylphenyl)propanamide
CID 41260469
2-(1-ethyltetrazol-5-yl)sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 17447818

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]propanamide?
The IUPAC name of N-[3-[[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]propanamide (CID 3169643) is N-[3-[[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]propanamide.
What is the SMILES notation for N-[3-[[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]propanamide?
The canonical SMILES for N-[3-[[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]propanamide is CCC(=O)Nc1cccc(NC(=O)CSc2nnnn2CC)c1.
What is the InChIKey of N-[3-[[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]propanamide?
The InChIKey is ZGQBDJKYBPGYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2S/c1-3-12(21)15-10-6-5-7-11(8-10)16-13(22)9-23-14-17-18-19-20(14)4-2/h5-8H,3-4,9H2,1-2H3,(H,15,21)(H,16,22).
What are the key properties of N-[3-[[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]propanamide?
N-[3-[[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]propanamide has a molecular weight of 334.41 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]propanamide is sourced from PubChem (CID 3169643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).