N-cyclopropyl-2-phenyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide

C17H17N5OS2 — CID 46639465

IUPACN-cyclopropyl-2-phenyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
SMILESO=C(NC1CC1)C(Sc1nnnn1Cc1cccs1)c1ccccc1
InChIInChI=1S/C17H17N5OS2/c23-16(18-13-8-9-13)15(12-5-2-1-3-6-12)25-17-19-20-21-22(17)11-14-7-4-10-24-14/h1-7,10,13,15H,8-9,11H2,(H,18,23)
InChIKeyINSDXVDABMRNNS-UHFFFAOYSA-N
MW371.49 g/mol
LogP2.89
Rot. Bonds7

About N-cyclopropyl-2-phenyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide

N-cyclopropyl-2-phenyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 46639465) has the molecular formula C17H17N5OS2 and a molecular weight of 371.49 g/mol. Its IUPAC name is N-cyclopropyl-2-phenyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-phenyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID46639465
Molecular FormulaC17H17N5OS2
Molecular Weight371.49 g/mol
Exact Mass371.09
IUPAC NameN-cyclopropyl-2-phenyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
SMILESO=C(NC1CC1)C(Sc1nnnn1Cc1cccs1)c1ccccc1
InChIInChI=1S/C17H17N5OS2/c23-16(18-13-8-9-13)15(12-5-2-1-3-6-12)25-17-19-20-21-22(17)11-14-7-4-10-24-14/h1-7,10,13,15H,8-9,11H2,(H,18,23)
InChIKeyINSDXVDABMRNNS-UHFFFAOYSA-N
XLogP2.89
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-cyclopropyl-2-phenyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide 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

2-(1-benzyltetrazol-5-yl)sulfanyl-N-cyclopropyl-2-phenylacetamide
CID 46640476
(2S)-N-(4-methylphenyl)-2-phenyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 41182860
(2S)-N-(3,5-dimethylphenyl)-2-phenyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 41183094
(2R)-N-(3,5-dimethylphenyl)-2-phenyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 41183093
(2S)-N-(2,5-dimethylphenyl)-2-phenyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 41235014
(2S)-N-cyclopropyl-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 26387733
2-(4-fluorophenyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 43040534
N-prop-2-ynyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
CID 47145688
N-cycloheptyl-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
CID 132897669
N-cyclopropyl-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 51210204
(2S)-N-cyclopropyl-2-phenyl-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8915841
(2S)-N-cyclopropyl-2-[[4-[[(2S)-oxolan-2-yl]methyl]-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide
CID 40794982

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-phenyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-cyclopropyl-2-phenyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide (CID 46639465) is N-cyclopropyl-2-phenyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-cyclopropyl-2-phenyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-cyclopropyl-2-phenyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide is O=C(NC1CC1)C(Sc1nnnn1Cc1cccs1)c1ccccc1.
What is the InChIKey of N-cyclopropyl-2-phenyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is INSDXVDABMRNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS2/c23-16(18-13-8-9-13)15(12-5-2-1-3-6-12)25-17-19-20-21-22(17)11-14-7-4-10-24-14/h1-7,10,13,15H,8-9,11H2,(H,18,23).
What are the key properties of N-cyclopropyl-2-phenyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide?
N-cyclopropyl-2-phenyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 371.49 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-phenyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 46639465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).