N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide

C22H24N6OS2 — CID 46683339

IUPACN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
SMILESCCn1c(SCCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)nnc1-c1cccs1
InChIInChI=1S/C22H24N6OS2/c1-4-27-21(18-11-8-13-30-18)24-25-22(27)31-14-12-19(29)23-20-15(2)26-28(16(20)3)17-9-6-5-7-10-17/h5-11,13H,4,12,14H2,1-3H3,(H,23,29)
InChIKeyRAIBAMQNXKTXDW-UHFFFAOYSA-N
MW452.61 g/mol
LogP4.95
Rot. Bonds8

About N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide (PubChem CID 46683339) has the molecular formula C22H24N6OS2 and a molecular weight of 452.61 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
PubChem CID46683339
Molecular FormulaC22H24N6OS2
Molecular Weight452.61 g/mol
Exact Mass452.15
IUPAC NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
SMILESCCn1c(SCCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)nnc1-c1cccs1
InChIInChI=1S/C22H24N6OS2/c1-4-27-21(18-11-8-13-30-18)24-25-22(27)31-14-12-19(29)23-20-15(2)26-28(16(20)3)17-9-6-5-7-10-17/h5-11,13H,4,12,14H2,1-3H3,(H,23,29)
InChIKeyRAIBAMQNXKTXDW-UHFFFAOYSA-N
XLogP4.95
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.61
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Launch Full Analysis

Related Compounds

3-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide
CID 51302797
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 55482784
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16536777
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 46683430
2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide
CID 3369409
N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 24592915
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 46683407
N-ethyl-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide
CID 2586522
2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2S)-2-phenylpropyl]acetamide
CID 7181840
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 42981060
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-phenylsulfanylacetamide
CID 78762299
3-(1H-benzimidazol-2-ylsulfanyl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 52546807

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide (CID 46683339) is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide.
What is the SMILES notation for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The canonical SMILES for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide is CCn1c(SCCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)nnc1-c1cccs1.
What is the InChIKey of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The InChIKey is RAIBAMQNXKTXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6OS2/c1-4-27-21(18-11-8-13-30-18)24-25-22(27)31-14-12-19(29)23-20-15(2)26-28(16(20)3)17-9-6-5-7-10-17/h5-11,13H,4,12,14H2,1-3H3,(H,23,29).
What are the key properties of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide has a molecular weight of 452.61 g/mol, XLogP of 4.95, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide is sourced from PubChem (CID 46683339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).