(2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-phenylacetamide

C19H15ClF3N5OS — CID 41095349

IUPAC(2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-phenylacetamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@@H](Sc1nnnn1C1CC1)c1ccccc1
InChIInChI=1S/C19H15ClF3N5OS/c20-14-9-6-12(19(21,22)23)10-15(14)24-17(29)16(11-4-2-1-3-5-11)30-18-25-26-27-28(18)13-7-8-13/h1-6,9-10,13,16H,7-8H2,(H,24,29)/t16-/m0/s1
InChIKeyBQKZKHQAMXRNNU-INIZCTEOSA-N
MW453.88 g/mol
LogP5.15
Rot. Bonds6

About (2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-phenylacetamide

(2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-phenylacetamide (PubChem CID 41095349) has the molecular formula C19H15ClF3N5OS and a molecular weight of 453.88 g/mol. Its IUPAC name is (2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-phenylacetamide
PubChem CID41095349
Molecular FormulaC19H15ClF3N5OS
Molecular Weight453.88 g/mol
Exact Mass453.06
IUPAC Name(2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-phenylacetamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@@H](Sc1nnnn1C1CC1)c1ccccc1
InChIInChI=1S/C19H15ClF3N5OS/c20-14-9-6-12(19(21,22)23)10-15(14)24-17(29)16(11-4-2-1-3-5-11)30-18-25-26-27-28(18)13-7-8-13/h1-6,9-10,13,16H,7-8H2,(H,24,29)/t16-/m0/s1
InChIKeyBQKZKHQAMXRNNU-INIZCTEOSA-N
XLogP5.15
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.88
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-phenylacetamide 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

(2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 2380450
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N,2-diphenylacetamide
CID 51280082
(2R)-N-carbamoyl-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-phenylacetamide
CID 9207001
(2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-2-phenylacetamide
CID 41082155
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-2-phenylacetamide
CID 6415315
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(4-methoxyphenyl)-2-phenylacetamide
CID 46645485
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-(2-fluorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide
CID 4220697
2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenylacetamide
CID 4117637
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 46645490
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(4-methoxyphenyl)-2-phenylacetamide
CID 46645368
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2,5-dichlorophenyl)propanamide
CID 46639260
(2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanyl-2-phenylacetamide
CID 94380192

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-phenylacetamide?
The IUPAC name of (2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-phenylacetamide (CID 41095349) is (2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-phenylacetamide.
What is the SMILES notation for (2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-phenylacetamide?
The canonical SMILES for (2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-phenylacetamide is O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@@H](Sc1nnnn1C1CC1)c1ccccc1.
What is the InChIKey of (2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-phenylacetamide?
The InChIKey is BQKZKHQAMXRNNU-INIZCTEOSA-N. The full InChI is InChI=1S/C19H15ClF3N5OS/c20-14-9-6-12(19(21,22)23)10-15(14)24-17(29)16(11-4-2-1-3-5-11)30-18-25-26-27-28(18)13-7-8-13/h1-6,9-10,13,16H,7-8H2,(H,24,29)/t16-/m0/s1.
What are the key properties of (2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-phenylacetamide?
(2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-phenylacetamide has a molecular weight of 453.88 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-phenylacetamide is sourced from PubChem (CID 41095349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).