(2S)-N-cyclopropyl-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide

C20H21N5OS — CID 9036780

IUPAC(2S)-N-cyclopropyl-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
SMILESCc1ccc(-n2nnnc2S[C@H](C(=O)NC2CC2)c2ccccc2)c(C)c1
InChIInChI=1S/C20H21N5OS/c1-13-8-11-17(14(2)12-13)25-20(22-23-24-25)27-18(15-6-4-3-5-7-15)19(26)21-16-9-10-16/h3-8,11-12,16,18H,9-10H2,1-2H3,(H,21,26)/t18-/m0/s1
InChIKeyFOGZCVJBBQQQES-SFHVURJKSA-N
MW379.49 g/mol
LogP3.39
Rot. Bonds6

About (2S)-N-cyclopropyl-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide

(2S)-N-cyclopropyl-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide (PubChem CID 9036780) has the molecular formula C20H21N5OS and a molecular weight of 379.49 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
PubChem CID9036780
Molecular FormulaC20H21N5OS
Molecular Weight379.49 g/mol
Exact Mass379.15
IUPAC Name(2S)-N-cyclopropyl-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
SMILESCc1ccc(-n2nnnc2S[C@H](C(=O)NC2CC2)c2ccccc2)c(C)c1
InChIInChI=1S/C20H21N5OS/c1-13-8-11-17(14(2)12-13)25-20(22-23-24-25)27-18(15-6-4-3-5-7-15)19(26)21-16-9-10-16/h3-8,11-12,16,18H,9-10H2,1-2H3,(H,21,26)/t18-/m0/s1
InChIKeyFOGZCVJBBQQQES-SFHVURJKSA-N
XLogP3.39
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-cyclopropyl-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 9036976
N-cyclopropyl-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 51202919
N-cyclopropyl-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 51210204
N-cyclopropyl-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 51210281
(2S)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(methylcarbamoyl)-2-phenylacetamide
CID 7878125
2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N,N-diethyl-2-phenylacetamide
CID 17431271
(2S)-N-cyclopropyl-2-phenyl-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8915841
N-[2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetyl]propanamide
CID 91565903
N-cycloheptyl-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 5023193
2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)propanamide
CID 51234652
N-cycloheptyl-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
CID 132897669
2-(1-benzyltetrazol-5-yl)sulfanyl-N-cyclopropyl-2-phenylacetamide
CID 46640476

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide?
The IUPAC name of (2S)-N-cyclopropyl-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide (CID 9036780) is (2S)-N-cyclopropyl-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide.
What is the SMILES notation for (2S)-N-cyclopropyl-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide?
The canonical SMILES for (2S)-N-cyclopropyl-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide is Cc1ccc(-n2nnnc2S[C@H](C(=O)NC2CC2)c2ccccc2)c(C)c1.
What is the InChIKey of (2S)-N-cyclopropyl-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide?
The InChIKey is FOGZCVJBBQQQES-SFHVURJKSA-N. The full InChI is InChI=1S/C20H21N5OS/c1-13-8-11-17(14(2)12-13)25-20(22-23-24-25)27-18(15-6-4-3-5-7-15)19(26)21-16-9-10-16/h3-8,11-12,16,18H,9-10H2,1-2H3,(H,21,26)/t18-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide?
(2S)-N-cyclopropyl-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide has a molecular weight of 379.49 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide is sourced from PubChem (CID 9036780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).