N-(4-chloro-2-methoxy-5-methylphenyl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylpropanamide

C19H17ClF3N5O3S — CID 24500542

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylpropanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C(C)Sc1nnnn1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H17ClF3N5O3S/c1-10-8-15(16(30-3)9-14(10)20)24-17(29)11(2)32-18-25-26-27-28(18)12-4-6-13(7-5-12)31-19(21,22)23/h4-9,11H,1-3H3,(H,24,29)
InChIKeyCRLCXAGBXNMGRY-UHFFFAOYSA-N
MW487.89 g/mol
LogP4.65
Rot. Bonds7

About N-(4-chloro-2-methoxy-5-methylphenyl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylpropanamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylpropanamide (PubChem CID 24500542) has the molecular formula C19H17ClF3N5O3S and a molecular weight of 487.89 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylpropanamide
PubChem CID24500542
Molecular FormulaC19H17ClF3N5O3S
Molecular Weight487.89 g/mol
Exact Mass487.07
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylpropanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C(C)Sc1nnnn1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H17ClF3N5O3S/c1-10-8-15(16(30-3)9-14(10)20)24-17(29)11(2)32-18-25-26-27-28(18)12-4-6-13(7-5-12)31-19(21,22)23/h4-9,11H,1-3H3,(H,24,29)
InChIKeyCRLCXAGBXNMGRY-UHFFFAOYSA-N
XLogP4.65
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.89
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(4-chloro-2-methoxy-5-methylphenyl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylpropanamide 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

N-(3,4-dimethoxyphenyl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylpropanamide
CID 24500535
N-(4-methoxyphenyl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylpropanamide
CID 24500522
N-[(3,4-dimethoxyphenyl)methyl]-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylpropanamide
CID 24500537
N-(2-cyanophenyl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylpropanamide
CID 43029466
(2R)-N-(2,5-dichlorophenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 2618637
2-(1-phenyltetrazol-5-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 43025838
(2S)-N-(2-chlorophenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7464745
N-[4-(difluoromethoxy)phenyl]-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylpropanamide
CID 46815744
2-(1-benzyltetrazol-5-yl)sulfanyl-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 24520232
(2R)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylpropanamide
CID 8971274
N-(2-methylpropyl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylpropanamide
CID 24500527
(2S)-N-propyl-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylpropanamide
CID 9382473

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylpropanamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylpropanamide (CID 24500542) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylpropanamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylpropanamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylpropanamide is COc1cc(Cl)c(C)cc1NC(=O)C(C)Sc1nnnn1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylpropanamide?
The InChIKey is CRLCXAGBXNMGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF3N5O3S/c1-10-8-15(16(30-3)9-14(10)20)24-17(29)11(2)32-18-25-26-27-28(18)12-4-6-13(7-5-12)31-19(21,22)23/h4-9,11H,1-3H3,(H,24,29).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylpropanamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylpropanamide has a molecular weight of 487.89 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylpropanamide is sourced from PubChem (CID 24500542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).