N-[(1R)-1-(1H-pyrazol-4-yl)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide

C15H17F3N4O4S — CID 97088140

IUPACN-[(1R)-1-(1H-pyrazol-4-yl)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
SMILESC[C@@H](NC(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1cn[nH]c1
InChIInChI=1S/C15H17F3N4O4S/c1-10(11-8-19-20-9-11)22-14(23)6-7-21-27(24,25)13-4-2-12(3-5-13)26-15(16,17)18/h2-5,8-10,21H,6-7H2,1H3,(H,19,20)(H,22,23)/t10-/m1/s1
InChIKeyDAYHJUYALBIJCS-SNVBAGLBSA-N
MW406.39 g/mol
LogP1.85
Rot. Bonds8

About N-[(1R)-1-(1H-pyrazol-4-yl)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide

N-[(1R)-1-(1H-pyrazol-4-yl)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide (PubChem CID 97088140) has the molecular formula C15H17F3N4O4S and a molecular weight of 406.39 g/mol. Its IUPAC name is N-[(1R)-1-(1H-pyrazol-4-yl)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[(1R)-1-(1H-pyrazol-4-yl)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
PubChem CID97088140
Molecular FormulaC15H17F3N4O4S
Molecular Weight406.39 g/mol
Exact Mass406.09
IUPAC NameN-[(1R)-1-(1H-pyrazol-4-yl)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
SMILESC[C@@H](NC(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1cn[nH]c1
InChIInChI=1S/C15H17F3N4O4S/c1-10(11-8-19-20-9-11)22-14(23)6-7-21-27(24,25)13-4-2-12(3-5-13)26-15(16,17)18/h2-5,8-10,21H,6-7H2,1H3,(H,19,20)(H,22,23)/t10-/m1/s1
InChIKeyDAYHJUYALBIJCS-SNVBAGLBSA-N
XLogP1.85
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.39
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-methylphenyl)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 55577678
N-propan-2-yl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 27648395
N-[1-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 24575222
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 55949741
4-[(4-methylphenyl)sulfonylamino]-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]butanamide
CID 51965439
2-chloro-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 95241388
N-[1-(1H-pyrazol-4-yl)ethyl]butanamide
CID 103856506
3-[(4-ethoxyphenyl)sulfonylamino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 112763941
3-[(4-chlorophenyl)sulfonylamino]-N-(1-pyridin-4-ylethyl)propanamide
CID 24639242
tert-butyl N-[3-oxo-3-[1-[4-(trifluoromethoxy)phenyl]ethylamino]propyl]carbamate
CID 46413620
methyl N-[4-[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoylamino]phenyl]carbamate
CID 55855713
N-[1-(3,4-difluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 24545638

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1H-pyrazol-4-yl)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide?
The IUPAC name of N-[(1R)-1-(1H-pyrazol-4-yl)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide (CID 97088140) is N-[(1R)-1-(1H-pyrazol-4-yl)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide.
What is the SMILES notation for N-[(1R)-1-(1H-pyrazol-4-yl)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide?
The canonical SMILES for N-[(1R)-1-(1H-pyrazol-4-yl)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide is C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1cn[nH]c1.
What is the InChIKey of N-[(1R)-1-(1H-pyrazol-4-yl)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide?
The InChIKey is DAYHJUYALBIJCS-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H17F3N4O4S/c1-10(11-8-19-20-9-11)22-14(23)6-7-21-27(24,25)13-4-2-12(3-5-13)26-15(16,17)18/h2-5,8-10,21H,6-7H2,1H3,(H,19,20)(H,22,23)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(1H-pyrazol-4-yl)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide?
N-[(1R)-1-(1H-pyrazol-4-yl)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide has a molecular weight of 406.39 g/mol, XLogP of 1.85, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1H-pyrazol-4-yl)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide is sourced from PubChem (CID 97088140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).