N-[2-[[3-(5-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)phenyl]sulfonylamino]ethyl]-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

C24H22F6N4O3S — CID 162600063

IUPACN-[2-[[3-(5-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)phenyl]sulfonylamino]ethyl]-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESCc1[nH]ncc1-c1cc(C(F)(F)F)cc(S(=O)(=O)NCCNC(=O)C2CC2c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C24H22F6N4O3S/c1-13-21(12-32-34-13)15-8-17(24(28,29)30)10-18(9-15)38(36,37)33-7-6-31-22(35)20-11-19(20)14-2-4-16(5-3-14)23(25,26)27/h2-5,8-10,12,19-20,33H,6-7,11H2,1H3,(H,31,35)(H,32,34)
InChIKeyVSAUGKGRAXQSIF-UHFFFAOYSA-N
MW560.52 g/mol
LogP4.62
Rot. Bonds8

About N-[2-[[3-(5-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)phenyl]sulfonylamino]ethyl]-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

N-[2-[[3-(5-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)phenyl]sulfonylamino]ethyl]-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 162600063) has the molecular formula C24H22F6N4O3S and a molecular weight of 560.52 g/mol. Its IUPAC name is N-[2-[[3-(5-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)phenyl]sulfonylamino]ethyl]-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[[3-(5-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)phenyl]sulfonylamino]ethyl]-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID162600063
Molecular FormulaC24H22F6N4O3S
Molecular Weight560.52 g/mol
Exact Mass560.13
IUPAC NameN-[2-[[3-(5-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)phenyl]sulfonylamino]ethyl]-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESCc1[nH]ncc1-c1cc(C(F)(F)F)cc(S(=O)(=O)NCCNC(=O)C2CC2c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C24H22F6N4O3S/c1-13-21(12-32-34-13)15-8-17(24(28,29)30)10-18(9-15)38(36,37)33-7-6-31-22(35)20-11-19(20)14-2-4-16(5-3-14)23(25,26)27/h2-5,8-10,12,19-20,33H,6-7,11H2,1H3,(H,31,35)(H,32,34)
InChIKeyVSAUGKGRAXQSIF-UHFFFAOYSA-N
XLogP4.62
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.52
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4-(3-(1H-pyrazol-5-yl)-5-(trifluoromethyl)phenylsulfonyl)piperazin-1-yl)((1R,2R)-2-(4-(trifluoromethyl)phenyl)cyclopropyl)methanone
CID 42625636
(4-(3-(1H-pyrazol-4-yl)-5-(trifluoromethyl)phenylsulfonyl)piperazin-1-yl)((1R,2R)-2-(4-(trifluoromethyl)phenyl)cyclopropyl)methanone
CID 42625949
(4-(3-(3-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)phenylsulfonyl)piperazin-1-yl)((1R,2R)-2-(4-(trifluoromethyl)phenyl)cyclopropyl)methanone
CID 42626020
(4-(3-(2H-1,2,3-triazol-4-yl)-5-(trifluoromethyl)phenylsulfonyl)piperazin-1-yl)((1R,2R)-2-(4-(trifluoromethyl)phenyl)cyclopropyl)methanone
CID 42626023
8-(benzenesulfonyl)-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1,4,8-triazacycloundecan-5-one
CID 110200910
3-{1-[(3-Fluorophenyl)sulfonyl]-3-piperidyl}-N~1~-[(5-methyl-1H-pyrazol-4-YL)methyl]propanamide
CID 91913356
1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-8-methylsulfonyl-7-phenyl-1,4,8-triazacycloundecan-5-one
CID 110201794
(5-phenyl-1H-pyrazol-4-yl)-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 32148572
2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-2-(1H-pyrazol-5-yl)-2-(4-sulfamoylphenyl)acetamide
CID 17780141
[4-[3-(2H-triazol-4-yl)-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 57896618
1-{[3-(3-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)phenyl]sulfonyl}-4-({2-[4-(trifluoromethyl)phenyl]cyclopropyl}carbonyl)piperazine
CID 57896619
4-[[4-[4-[4-(3,3-difluoro-4-phenylpyrrolidin-1-yl)-4-oxobutyl]-1H-pyrazol-5-yl]piperidin-1-yl]methyl]benzenesulfonamide
CID 123314533

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(5-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)phenyl]sulfonylamino]ethyl]-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N-[2-[[3-(5-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)phenyl]sulfonylamino]ethyl]-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 162600063) is N-[2-[[3-(5-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)phenyl]sulfonylamino]ethyl]-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-[[3-(5-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)phenyl]sulfonylamino]ethyl]-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-[2-[[3-(5-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)phenyl]sulfonylamino]ethyl]-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is Cc1[nH]ncc1-c1cc(C(F)(F)F)cc(S(=O)(=O)NCCNC(=O)C2CC2c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of N-[2-[[3-(5-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)phenyl]sulfonylamino]ethyl]-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is VSAUGKGRAXQSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F6N4O3S/c1-13-21(12-32-34-13)15-8-17(24(28,29)30)10-18(9-15)38(36,37)33-7-6-31-22(35)20-11-19(20)14-2-4-16(5-3-14)23(25,26)27/h2-5,8-10,12,19-20,33H,6-7,11H2,1H3,(H,31,35)(H,32,34).
What are the key properties of N-[2-[[3-(5-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)phenyl]sulfonylamino]ethyl]-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
N-[2-[[3-(5-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)phenyl]sulfonylamino]ethyl]-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 560.52 g/mol, XLogP of 4.62, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(5-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)phenyl]sulfonylamino]ethyl]-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 162600063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).