N-ethyl-N-[[2-[(4-fluorophenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]cyclopropanecarboxamide

C20H26FN3O3S — CID 83280712

IUPACN-ethyl-N-[[2-[(4-fluorophenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]cyclopropanecarboxamide
SMILESCCN(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C(C)C)C(=O)C1CC1
InChIInChI=1S/C20H26FN3O3S/c1-4-23(19(25)16-7-8-16)12-18-11-22-20(24(18)14(2)3)28(26,27)13-15-5-9-17(21)10-6-15/h5-6,9-11,14,16H,4,7-8,12-13H2,1-3H3
InChIKeyARTHZNPYMABRHA-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.34
Rot. Bonds8

About N-ethyl-N-[[2-[(4-fluorophenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]cyclopropanecarboxamide

N-ethyl-N-[[2-[(4-fluorophenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]cyclopropanecarboxamide (PubChem CID 83280712) has the molecular formula C20H26FN3O3S and a molecular weight of 407.51 g/mol. Its IUPAC name is N-ethyl-N-[[2-[(4-fluorophenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-ethyl-N-[[2-[(4-fluorophenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]cyclopropanecarboxamide
PubChem CID83280712
Molecular FormulaC20H26FN3O3S
Molecular Weight407.51 g/mol
Exact Mass407.17
IUPAC NameN-ethyl-N-[[2-[(4-fluorophenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]cyclopropanecarboxamide
SMILESCCN(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C(C)C)C(=O)C1CC1
InChIInChI=1S/C20H26FN3O3S/c1-4-23(19(25)16-7-8-16)12-18-11-22-20(24(18)14(2)3)28(26,27)13-15-5-9-17(21)10-6-15/h5-6,9-11,14,16H,4,7-8,12-13H2,1-3H3
InChIKeyARTHZNPYMABRHA-UHFFFAOYSA-N
XLogP3.34
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-N-[[2-[(4-fluorophenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]-4-methylbenzenesulfonamide
CID 42826125
1-[[3-benzyl-2-[(4-fluorophenyl)methylsulfonyl]imidazol-4-yl]methyl]-1-ethyl-3-propan-2-ylurea
CID 42825518
N-[[2-[(3-chlorophenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]-4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 83280759
N-ethyl-N-[(4-fluorophenyl)methyl]cyclopentanecarboxamide
CID 91410350
N-ethyl-N-[[2-[(4-fluorophenyl)methylsulfonyl]-3-[[(2R)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]-2-methylbenzamide
CID 93146857
N-[[3-benzyl-2-[(4-methylphenyl)methylsulfonyl]imidazol-4-yl]methyl]-N-(2-methoxyethyl)cyclopropanecarboxamide
CID 83287531
3-chloro-N-[[2-[(4-methylphenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]-N-(2-methylpropyl)benzamide
CID 83287497
N,N-bis[(4-fluorophenyl)methyl]cyclopropanecarboxamide
CID 110190860
N-(2-methoxyethyl)-N-[[2-[(3-methylphenyl)methylsulfonyl]-3-(2-methylpropyl)imidazol-4-yl]methyl]cyclopropanecarboxamide
CID 83287436
N-[[2-[(2-chlorophenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]-N-(2-methylpropyl)-2-phenylacetamide
CID 83280299
N-[[2-[(3-chlorophenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]-3-methyl-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 93149419
4-N,4-N-diethyl-1-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148420

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[2-[(4-fluorophenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-ethyl-N-[[2-[(4-fluorophenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]cyclopropanecarboxamide (CID 83280712) is N-ethyl-N-[[2-[(4-fluorophenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-ethyl-N-[[2-[(4-fluorophenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-ethyl-N-[[2-[(4-fluorophenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]cyclopropanecarboxamide is CCN(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C(C)C)C(=O)C1CC1.
What is the InChIKey of N-ethyl-N-[[2-[(4-fluorophenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]cyclopropanecarboxamide?
The InChIKey is ARTHZNPYMABRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O3S/c1-4-23(19(25)16-7-8-16)12-18-11-22-20(24(18)14(2)3)28(26,27)13-15-5-9-17(21)10-6-15/h5-6,9-11,14,16H,4,7-8,12-13H2,1-3H3.
What are the key properties of N-ethyl-N-[[2-[(4-fluorophenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]cyclopropanecarboxamide?
N-ethyl-N-[[2-[(4-fluorophenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]cyclopropanecarboxamide has a molecular weight of 407.51 g/mol, XLogP of 3.34, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[2-[(4-fluorophenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 83280712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).