N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-1-(4-methylsulfonylphenyl)cyclobutane-1-carboxamide

C18H23N3O3S — CID 91776270

IUPACN-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-1-(4-methylsulfonylphenyl)cyclobutane-1-carboxamide
SMILESCc1cnc(C(C)NC(=O)C2(c3ccc(S(C)(=O)=O)cc3)CCC2)[nH]1
InChIInChI=1S/C18H23N3O3S/c1-12-11-19-16(20-12)13(2)21-17(22)18(9-4-10-18)14-5-7-15(8-6-14)25(3,23)24/h5-8,11,13H,4,9-10H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyFGHPBWPURIQWBU-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.42
Rot. Bonds5

About N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-1-(4-methylsulfonylphenyl)cyclobutane-1-carboxamide

N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-1-(4-methylsulfonylphenyl)cyclobutane-1-carboxamide (PubChem CID 91776270) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-1-(4-methylsulfonylphenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-1-(4-methylsulfonylphenyl)cyclobutane-1-carboxamide
PubChem CID91776270
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-1-(4-methylsulfonylphenyl)cyclobutane-1-carboxamide
SMILESCc1cnc(C(C)NC(=O)C2(c3ccc(S(C)(=O)=O)cc3)CCC2)[nH]1
InChIInChI=1S/C18H23N3O3S/c1-12-11-19-16(20-12)13(2)21-17(22)18(9-4-10-18)14-5-7-15(8-6-14)25(3,23)24/h5-8,11,13H,4,9-10H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyFGHPBWPURIQWBU-UHFFFAOYSA-N
XLogP2.42
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methylsulfonylphenyl)ethyl]-1-phenylcyclopentane-1-carboxamide
CID 133165833
N-methyl-1-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide
CID 121496267
N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
CID 91794714
2-[[1-(4-methylsulfonylphenyl)cyclobutanecarbonyl]amino]acetic acid
CID 122557896
1-amino-N-[1-(4-methylsulfonylphenyl)ethyl]cyclobutane-1-carboxamide
CID 81172890
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 2328668
N-(5-methyl-1H-imidazol-2-yl)-1-phenylcyclopentane-1-carboxamide
CID 138045929
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-1-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide
CID 118770787
N-[(1R)-1-(4-fluorophenyl)ethyl]-1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide
CID 95086523
N-(3-hydroxypropyl)-1-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide
CID 121498243
4-methylsulfonyl-N'-(1-phenylcyclobutanecarbonyl)benzohydrazide
CID 34969110
N-(1-imidazol-1-ylbutan-2-yl)-1-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide
CID 131931140

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-1-(4-methylsulfonylphenyl)cyclobutane-1-carboxamide?
The IUPAC name of N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-1-(4-methylsulfonylphenyl)cyclobutane-1-carboxamide (CID 91776270) is N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-1-(4-methylsulfonylphenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-1-(4-methylsulfonylphenyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-1-(4-methylsulfonylphenyl)cyclobutane-1-carboxamide is Cc1cnc(C(C)NC(=O)C2(c3ccc(S(C)(=O)=O)cc3)CCC2)[nH]1.
What is the InChIKey of N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-1-(4-methylsulfonylphenyl)cyclobutane-1-carboxamide?
The InChIKey is FGHPBWPURIQWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-12-11-19-16(20-12)13(2)21-17(22)18(9-4-10-18)14-5-7-15(8-6-14)25(3,23)24/h5-8,11,13H,4,9-10H2,1-3H3,(H,19,20)(H,21,22).
What are the key properties of N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-1-(4-methylsulfonylphenyl)cyclobutane-1-carboxamide?
N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-1-(4-methylsulfonylphenyl)cyclobutane-1-carboxamide has a molecular weight of 361.47 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-1-(4-methylsulfonylphenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 91776270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).