(2S)-N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide

C16H15N5OS — CID 2621223

IUPAC(2S)-N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
SMILESC[C@H](Sc1nnnn1-c1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C16H15N5OS/c1-12(15(22)17-13-8-4-2-5-9-13)23-16-18-19-20-21(16)14-10-6-3-7-11-14/h2-12H,1H3,(H,17,22)/t12-/m0/s1
InChIKeyCYNKRHZDXVDIRS-LBPRGKRZSA-N
MW325.40 g/mol
LogP2.78
Rot. Bonds5

About (2S)-N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide

(2S)-N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide (PubChem CID 2621223) has the molecular formula C16H15N5OS and a molecular weight of 325.40 g/mol. Its IUPAC name is (2S)-N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
PubChem CID2621223
Molecular FormulaC16H15N5OS
Molecular Weight325.40 g/mol
Exact Mass325.10
IUPAC Name(2S)-N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
SMILESC[C@H](Sc1nnnn1-c1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C16H15N5OS/c1-12(15(22)17-13-8-4-2-5-9-13)23-16-18-19-20-21(16)14-10-6-3-7-11-14/h2-12H,1H3,(H,17,22)/t12-/m0/s1
InChIKeyCYNKRHZDXVDIRS-LBPRGKRZSA-N
XLogP2.78
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-(4-bromophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 7762355
N-phenyl-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 18193854
N-(4-phenoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 3574174
(2R)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide
CID 2618654
(2S)-N-(4-phenoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 2586128
N-(3-fluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 46619617
(2R)-N-naphthalen-2-yl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 7762411
2-(1-phenyltetrazol-5-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 43025838
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 4898224
(2S)-N-(3-chloro-4-fluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 9274422
N-(3-chloro-4-fluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 51233864
N-tert-butyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 51233862

Frequently Asked Questions

What is the IUPAC name of (2S)-N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
The IUPAC name of (2S)-N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide (CID 2621223) is (2S)-N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide.
What is the SMILES notation for (2S)-N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
The canonical SMILES for (2S)-N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide is C[C@H](Sc1nnnn1-c1ccccc1)C(=O)Nc1ccccc1.
What is the InChIKey of (2S)-N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
The InChIKey is CYNKRHZDXVDIRS-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H15N5OS/c1-12(15(22)17-13-8-4-2-5-9-13)23-16-18-19-20-21(16)14-10-6-3-7-11-14/h2-12H,1H3,(H,17,22)/t12-/m0/s1.
What are the key properties of (2S)-N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
(2S)-N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide has a molecular weight of 325.40 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide is sourced from PubChem (CID 2621223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).