N-(4-propan-2-ylphenyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide

C18H24N4O3S — CID 20947133

IUPACN-(4-propan-2-ylphenyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide
SMILESCC(C)c1ccc(NC(=O)Cn2cnc(S(=O)(=O)N3CCCC3)c2)cc1
InChIInChI=1S/C18H24N4O3S/c1-14(2)15-5-7-16(8-6-15)20-17(23)11-21-12-18(19-13-21)26(24,25)22-9-3-4-10-22/h5-8,12-14H,3-4,9-11H2,1-2H3,(H,20,23)
InChIKeyBFVSJCAFIQAAEF-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.43
Rot. Bonds6

About N-(4-propan-2-ylphenyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide

N-(4-propan-2-ylphenyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide (PubChem CID 20947133) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-propan-2-ylphenyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide
PubChem CID20947133
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC NameN-(4-propan-2-ylphenyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide
SMILESCC(C)c1ccc(NC(=O)Cn2cnc(S(=O)(=O)N3CCCC3)c2)cc1
InChIInChI=1S/C18H24N4O3S/c1-14(2)15-5-7-16(8-6-15)20-17(23)11-21-12-18(19-13-21)26(24,25)22-9-3-4-10-22/h5-8,12-14H,3-4,9-11H2,1-2H3,(H,20,23)
InChIKeyBFVSJCAFIQAAEF-UHFFFAOYSA-N
XLogP2.43
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxyphenyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide
CID 20949492
N-(3-methylphenyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide
CID 20949569
N-(4-chlorophenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide
CID 20949616
methyl 2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetate
CID 20969620
N-(2,4-difluorophenyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide
CID 20947087
1-(1-methylimidazol-4-yl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 53085431
2-(4-piperidin-1-ylsulfonylimidazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 20949449
N-(4-bromo-3-methylphenyl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide
CID 20949815
N-(4-propan-2-ylphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 45374710
N-(4-piperidin-1-ylsulfonylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 1298043
3-(4-propan-2-ylphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 55771343
N-[(5-methylfuran-2-yl)methyl]-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide
CID 20949556

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylphenyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide?
The IUPAC name of N-(4-propan-2-ylphenyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide (CID 20947133) is N-(4-propan-2-ylphenyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide.
What is the SMILES notation for N-(4-propan-2-ylphenyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide?
The canonical SMILES for N-(4-propan-2-ylphenyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide is CC(C)c1ccc(NC(=O)Cn2cnc(S(=O)(=O)N3CCCC3)c2)cc1.
What is the InChIKey of N-(4-propan-2-ylphenyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide?
The InChIKey is BFVSJCAFIQAAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-14(2)15-5-7-16(8-6-15)20-17(23)11-21-12-18(19-13-21)26(24,25)22-9-3-4-10-22/h5-8,12-14H,3-4,9-11H2,1-2H3,(H,20,23).
What are the key properties of N-(4-propan-2-ylphenyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide?
N-(4-propan-2-ylphenyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide has a molecular weight of 376.48 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylphenyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide is sourced from PubChem (CID 20947133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).