N-propan-2-yl-2-[2-[[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]carbamoyl]phenyl]sulfanylacetamide

C18H20F3N5O3S — CID 24979449

IUPACN-propan-2-yl-2-[2-[[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]carbamoyl]phenyl]sulfanylacetamide
SMILESCC(C)NC(=O)CSc1ccccc1C(=O)NNC(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C18H20F3N5O3S/c1-11(2)22-16(28)10-30-13-6-4-3-5-12(13)17(29)24-23-15(27)9-26-8-7-14(25-26)18(19,20)21/h3-8,11H,9-10H2,1-2H3,(H,22,28)(H,23,27)(H,24,29)
InChIKeyFKNOZDBFUXEXTC-UHFFFAOYSA-N
MW443.45 g/mol
LogP1.98
Rot. Bonds7

About N-propan-2-yl-2-[2-[[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]carbamoyl]phenyl]sulfanylacetamide

N-propan-2-yl-2-[2-[[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]carbamoyl]phenyl]sulfanylacetamide (PubChem CID 24979449) has the molecular formula C18H20F3N5O3S and a molecular weight of 443.45 g/mol. Its IUPAC name is N-propan-2-yl-2-[2-[[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]carbamoyl]phenyl]sulfanylacetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[2-[[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]carbamoyl]phenyl]sulfanylacetamide
PubChem CID24979449
Molecular FormulaC18H20F3N5O3S
Molecular Weight443.45 g/mol
Exact Mass443.12
IUPAC NameN-propan-2-yl-2-[2-[[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]carbamoyl]phenyl]sulfanylacetamide
SMILESCC(C)NC(=O)CSc1ccccc1C(=O)NNC(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C18H20F3N5O3S/c1-11(2)22-16(28)10-30-13-6-4-3-5-12(13)17(29)24-23-15(27)9-26-8-7-14(25-26)18(19,20)21/h3-8,11H,9-10H2,1-2H3,(H,22,28)(H,23,27)(H,24,29)
InChIKeyFKNOZDBFUXEXTC-UHFFFAOYSA-N
XLogP1.98
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.45
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 127025541
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CID 24982931
S-[6-[(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)amino]hexyl] ethanethioate
CID 127029269
S-[6-[(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)amino]hexyl] propanethioate
CID 127029270
S-[6-[(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)amino]hexyl] butanethioate
CID 127029271
N-[1-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 25161815
2-(ethylthio)-N-(2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)benzamide
CID 71808026
2-(4-(isopropylthio)phenyl)-N-(2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)acetamide
CID 71808039
4-(N,N-dimethylsulfamoyl)-N-(2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)benzamide
CID 71808045
2,6-difluoro-N-(2-(3-(thiophen-2-yl)-1H-pyrazol-1-yl)ethyl)benzamide
CID 71808119
N-{2-[3-(thiophen-2-yl)-1H-pyrazol-1-yl]ethyl}-2-(trifluoromethyl)benzamide
CID 71808138
3-(4-fluorophenyl)-1-methyl-N-(2-(3-(thiophen-2-yl)-1H-pyrazol-1-yl)ethyl)-1H-pyrazole-5-carboxamide
CID 71808157

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[2-[[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]carbamoyl]phenyl]sulfanylacetamide?
The IUPAC name of N-propan-2-yl-2-[2-[[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]carbamoyl]phenyl]sulfanylacetamide (CID 24979449) is N-propan-2-yl-2-[2-[[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]carbamoyl]phenyl]sulfanylacetamide.
What is the SMILES notation for N-propan-2-yl-2-[2-[[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]carbamoyl]phenyl]sulfanylacetamide?
The canonical SMILES for N-propan-2-yl-2-[2-[[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]carbamoyl]phenyl]sulfanylacetamide is CC(C)NC(=O)CSc1ccccc1C(=O)NNC(=O)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of N-propan-2-yl-2-[2-[[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]carbamoyl]phenyl]sulfanylacetamide?
The InChIKey is FKNOZDBFUXEXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N5O3S/c1-11(2)22-16(28)10-30-13-6-4-3-5-12(13)17(29)24-23-15(27)9-26-8-7-14(25-26)18(19,20)21/h3-8,11H,9-10H2,1-2H3,(H,22,28)(H,23,27)(H,24,29).
What are the key properties of N-propan-2-yl-2-[2-[[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]carbamoyl]phenyl]sulfanylacetamide?
N-propan-2-yl-2-[2-[[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]carbamoyl]phenyl]sulfanylacetamide has a molecular weight of 443.45 g/mol, XLogP of 1.98, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[2-[[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]carbamoyl]phenyl]sulfanylacetamide is sourced from PubChem (CID 24979449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).