N-cyclopropyl-2-[4-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpiperazin-1-yl]acetamide

C16H27N5O3S — CID 96566390

IUPACN-cyclopropyl-2-[4-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpiperazin-1-yl]acetamide
SMILESCC(C)Cn1cnc(S(=O)(=O)N2CCN(CC(=O)NC3CC3)CC2)c1
InChIInChI=1S/C16H27N5O3S/c1-13(2)9-20-11-16(17-12-20)25(23,24)21-7-5-19(6-8-21)10-15(22)18-14-3-4-14/h11-14H,3-10H2,1-2H3,(H,18,22)
InChIKeyIXDKNFRZOICSGU-UHFFFAOYSA-N
MW369.49 g/mol
LogP0.12
Rot. Bonds7

About N-cyclopropyl-2-[4-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpiperazin-1-yl]acetamide

N-cyclopropyl-2-[4-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpiperazin-1-yl]acetamide (PubChem CID 96566390) has the molecular formula C16H27N5O3S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpiperazin-1-yl]acetamide
PubChem CID96566390
Molecular FormulaC16H27N5O3S
Molecular Weight369.49 g/mol
Exact Mass369.18
IUPAC NameN-cyclopropyl-2-[4-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpiperazin-1-yl]acetamide
SMILESCC(C)Cn1cnc(S(=O)(=O)N2CCN(CC(=O)NC3CC3)CC2)c1
InChIInChI=1S/C16H27N5O3S/c1-13(2)9-20-11-16(17-12-20)25(23,24)21-7-5-19(6-8-21)10-15(22)18-14-3-4-14/h11-14H,3-10H2,1-2H3,(H,18,22)
InChIKeyIXDKNFRZOICSGU-UHFFFAOYSA-N
XLogP0.12
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpiperidin-4-yl]methyl]ethanamine
CID 119990565
3,3-dimethyl-1-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpiperidin-4-amine;hydrochloride
CID 120779629
N-(4-ethylcyclohexyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 112822855
N-cyclopropyl-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 6470268
N-cyclopropyl-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide
CID 17376128
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-cyclopropylacetamide
CID 32717261
N-cyclopropyl-2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]acetamide
CID 9189839
N-cyclopropyl-2-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 9189833
N-cyclohexyl-2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide
CID 52920699
N-cyclopentyl-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]acetamide
CID 31344259
methyl 2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetate
CID 20969620
N-[[1-(1-ethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]cyclopropanamine
CID 79369875

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpiperazin-1-yl]acetamide (CID 96566390) is N-cyclopropyl-2-[4-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpiperazin-1-yl]acetamide is CC(C)Cn1cnc(S(=O)(=O)N2CCN(CC(=O)NC3CC3)CC2)c1.
What is the InChIKey of N-cyclopropyl-2-[4-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpiperazin-1-yl]acetamide?
The InChIKey is IXDKNFRZOICSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O3S/c1-13(2)9-20-11-16(17-12-20)25(23,24)21-7-5-19(6-8-21)10-15(22)18-14-3-4-14/h11-14H,3-10H2,1-2H3,(H,18,22).
What are the key properties of N-cyclopropyl-2-[4-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpiperazin-1-yl]acetamide?
N-cyclopropyl-2-[4-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpiperazin-1-yl]acetamide has a molecular weight of 369.49 g/mol, XLogP of 0.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[1-(2-methylpropyl)imidazol-4-yl]sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 96566390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).