N-[1-[4-[1-(2-ethylsulfonylethyl)imidazol-2-yl]piperidin-1-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]acetamide

C23H31FN4O4S — CID 3860582

IUPACN-[1-[4-[1-(2-ethylsulfonylethyl)imidazol-2-yl]piperidin-1-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]acetamide
SMILESCCS(=O)(=O)CCn1ccnc1C1CCN(C(=O)C(Cc2ccccc2F)NC(C)=O)CC1
InChIInChI=1S/C23H31FN4O4S/c1-3-33(31,32)15-14-27-13-10-25-22(27)18-8-11-28(12-9-18)23(30)21(26-17(2)29)16-19-6-4-5-7-20(19)24/h4-7,10,13,18,21H,3,8-9,11-12,14-16H2,1-2H3,(H,26,29)
InChIKeyQRWUURLZONFMQJ-UHFFFAOYSA-N
MW478.59 g/mol
LogP1.91
Rot. Bonds9

About N-[1-[4-[1-(2-ethylsulfonylethyl)imidazol-2-yl]piperidin-1-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]acetamide

N-[1-[4-[1-(2-ethylsulfonylethyl)imidazol-2-yl]piperidin-1-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]acetamide (PubChem CID 3860582) has the molecular formula C23H31FN4O4S and a molecular weight of 478.59 g/mol. Its IUPAC name is N-[1-[4-[1-(2-ethylsulfonylethyl)imidazol-2-yl]piperidin-1-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-[4-[1-(2-ethylsulfonylethyl)imidazol-2-yl]piperidin-1-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]acetamide
PubChem CID3860582
Molecular FormulaC23H31FN4O4S
Molecular Weight478.59 g/mol
Exact Mass478.21
IUPAC NameN-[1-[4-[1-(2-ethylsulfonylethyl)imidazol-2-yl]piperidin-1-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]acetamide
SMILESCCS(=O)(=O)CCn1ccnc1C1CCN(C(=O)C(Cc2ccccc2F)NC(C)=O)CC1
InChIInChI=1S/C23H31FN4O4S/c1-3-33(31,32)15-14-27-13-10-25-22(27)18-8-11-28(12-9-18)23(30)21(26-17(2)29)16-19-6-4-5-7-20(19)24/h4-7,10,13,18,21H,3,8-9,11-12,14-16H2,1-2H3,(H,26,29)
InChIKeyQRWUURLZONFMQJ-UHFFFAOYSA-N
XLogP1.91
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.59
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[1-(2-ethylsulfonylethyl)imidazol-2-yl]piperidin-1-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]acetamide?
The IUPAC name of N-[1-[4-[1-(2-ethylsulfonylethyl)imidazol-2-yl]piperidin-1-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]acetamide (CID 3860582) is N-[1-[4-[1-(2-ethylsulfonylethyl)imidazol-2-yl]piperidin-1-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]acetamide.
What is the SMILES notation for N-[1-[4-[1-(2-ethylsulfonylethyl)imidazol-2-yl]piperidin-1-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]acetamide?
The canonical SMILES for N-[1-[4-[1-(2-ethylsulfonylethyl)imidazol-2-yl]piperidin-1-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]acetamide is CCS(=O)(=O)CCn1ccnc1C1CCN(C(=O)C(Cc2ccccc2F)NC(C)=O)CC1.
What is the InChIKey of N-[1-[4-[1-(2-ethylsulfonylethyl)imidazol-2-yl]piperidin-1-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]acetamide?
The InChIKey is QRWUURLZONFMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FN4O4S/c1-3-33(31,32)15-14-27-13-10-25-22(27)18-8-11-28(12-9-18)23(30)21(26-17(2)29)16-19-6-4-5-7-20(19)24/h4-7,10,13,18,21H,3,8-9,11-12,14-16H2,1-2H3,(H,26,29).
What are the key properties of N-[1-[4-[1-(2-ethylsulfonylethyl)imidazol-2-yl]piperidin-1-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]acetamide?
N-[1-[4-[1-(2-ethylsulfonylethyl)imidazol-2-yl]piperidin-1-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]acetamide has a molecular weight of 478.59 g/mol, XLogP of 1.91, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[1-(2-ethylsulfonylethyl)imidazol-2-yl]piperidin-1-yl]-3-(2-fluorophenyl)-1-oxopropan-2-yl]acetamide is sourced from PubChem (CID 3860582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).