N-[3-[[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide

C23H27FN4O4S — CID 55894629

IUPACN-[3-[[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide
SMILESCc1ccc(NC(=O)C2CC2)cc1NCC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C23H27FN4O4S/c1-16-5-8-19(26-23(30)17-6-7-17)14-21(16)25-15-22(29)27-9-11-28(12-10-27)33(31,32)20-4-2-3-18(24)13-20/h2-5,8,13-14,17,25H,6-7,9-12,15H2,1H3,(H,26,30)
InChIKeyMNCDRDOJNLNSBC-UHFFFAOYSA-N
MW474.56 g/mol
LogP2.43
Rot. Bonds7

About N-[3-[[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide

N-[3-[[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide (PubChem CID 55894629) has the molecular formula C23H27FN4O4S and a molecular weight of 474.56 g/mol. Its IUPAC name is N-[3-[[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide
PubChem CID55894629
Molecular FormulaC23H27FN4O4S
Molecular Weight474.56 g/mol
Exact Mass474.17
IUPAC NameN-[3-[[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide
SMILESCc1ccc(NC(=O)C2CC2)cc1NCC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C23H27FN4O4S/c1-16-5-8-19(26-23(30)17-6-7-17)14-21(16)25-15-22(29)27-9-11-28(12-10-27)33(31,32)20-4-2-3-18(24)13-20/h2-5,8,13-14,17,25H,6-7,9-12,15H2,1H3,(H,26,30)
InChIKeyMNCDRDOJNLNSBC-UHFFFAOYSA-N
XLogP2.43
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-[4-(trifluoromethyl)anilino]ethanone
CID 51484112
4-(3-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperazine-1-carboxamide
CID 51168489
1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-(2-methylphenyl)sulfanylethanone
CID 9369660
2-(2,5-dimethylphenoxy)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 9094602
N-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-3-methylbenzamide
CID 9369355
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2,5-difluoroanilino)ethanone
CID 51252716
N-(2,5-dimethylphenyl)-4-(3-fluorophenyl)sulfonylpiperazine-1-carbothioamide
CID 8681199
2-cyclopentyl-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 9369541
N-[2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 55634596
1-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
CID 1326765
1-(3-acetylphenyl)sulfonyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 24573053
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2-fluoro-4-methylanilino)ethanone
CID 9101098

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide (CID 55894629) is N-[3-[[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide is Cc1ccc(NC(=O)C2CC2)cc1NCC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1.
What is the InChIKey of N-[3-[[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide?
The InChIKey is MNCDRDOJNLNSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O4S/c1-16-5-8-19(26-23(30)17-6-7-17)14-21(16)25-15-22(29)27-9-11-28(12-10-27)33(31,32)20-4-2-3-18(24)13-20/h2-5,8,13-14,17,25H,6-7,9-12,15H2,1H3,(H,26,30).
What are the key properties of N-[3-[[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide?
N-[3-[[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide has a molecular weight of 474.56 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide is sourced from PubChem (CID 55894629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).