(2R)-N-naphthalen-2-yl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide

C20H17N5OS — CID 7762411

IUPAC(2R)-N-naphthalen-2-yl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
SMILESC[C@@H](Sc1nnnn1-c1ccccc1)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C20H17N5OS/c1-14(27-20-22-23-24-25(20)18-9-3-2-4-10-18)19(26)21-17-12-11-15-7-5-6-8-16(15)13-17/h2-14H,1H3,(H,21,26)/t14-/m1/s1
InChIKeyZCABKWRPGSPHMJ-CQSZACIVSA-N
MW375.46 g/mol
LogP3.93
Rot. Bonds5

About (2R)-N-naphthalen-2-yl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide

(2R)-N-naphthalen-2-yl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide (PubChem CID 7762411) has the molecular formula C20H17N5OS and a molecular weight of 375.46 g/mol. Its IUPAC name is (2R)-N-naphthalen-2-yl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-naphthalen-2-yl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
PubChem CID7762411
Molecular FormulaC20H17N5OS
Molecular Weight375.46 g/mol
Exact Mass375.12
IUPAC Name(2R)-N-naphthalen-2-yl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
SMILESC[C@@H](Sc1nnnn1-c1ccccc1)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C20H17N5OS/c1-14(27-20-22-23-24-25(20)18-9-3-2-4-10-18)19(26)21-17-12-11-15-7-5-6-8-16(15)13-17/h2-14H,1H3,(H,21,26)/t14-/m1/s1
InChIKeyZCABKWRPGSPHMJ-CQSZACIVSA-N
XLogP3.93
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.46
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-naphthalen-2-ylpropanamide
CID 18289109
(2S)-N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 2621223
N-(4-phenoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 3574174
(2S)-N-(4-phenoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 2586128
(2S)-N-(4-bromophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 7762355
N-(3-fluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 46619617
(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
(2R)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide
CID 2618654
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 2621201
N-phenyl-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 18193854
2-(1-phenyltetrazol-5-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 43025838

Frequently Asked Questions

What is the IUPAC name of (2R)-N-naphthalen-2-yl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
The IUPAC name of (2R)-N-naphthalen-2-yl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide (CID 7762411) is (2R)-N-naphthalen-2-yl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-naphthalen-2-yl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-naphthalen-2-yl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide is C[C@@H](Sc1nnnn1-c1ccccc1)C(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of (2R)-N-naphthalen-2-yl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
The InChIKey is ZCABKWRPGSPHMJ-CQSZACIVSA-N. The full InChI is InChI=1S/C20H17N5OS/c1-14(27-20-22-23-24-25(20)18-9-3-2-4-10-18)19(26)21-17-12-11-15-7-5-6-8-16(15)13-17/h2-14H,1H3,(H,21,26)/t14-/m1/s1.
What are the key properties of (2R)-N-naphthalen-2-yl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
(2R)-N-naphthalen-2-yl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide has a molecular weight of 375.46 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-naphthalen-2-yl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide is sourced from PubChem (CID 7762411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).