2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-cyclopropylquinoline-4-carboxamide

C27H32N4O3S — CID 112802302

IUPAC2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-cyclopropylquinoline-4-carboxamide
SMILESCCC(C)c1ccc(S(=O)(=O)N2CCN(c3cc(C(=O)NC4CC4)c4ccccc4n3)CC2)cc1
InChIInChI=1S/C27H32N4O3S/c1-3-19(2)20-8-12-22(13-9-20)35(33,34)31-16-14-30(15-17-31)26-18-24(27(32)28-21-10-11-21)23-6-4-5-7-25(23)29-26/h4-9,12-13,18-19,21H,3,10-11,14-17H2,1-2H3,(H,28,32)
InChIKeyBTTCZOKYJMZGAG-UHFFFAOYSA-N
MW492.65 g/mol
LogP4.15
Rot. Bonds7

About 2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-cyclopropylquinoline-4-carboxamide

2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-cyclopropylquinoline-4-carboxamide (PubChem CID 112802302) has the molecular formula C27H32N4O3S and a molecular weight of 492.65 g/mol. Its IUPAC name is 2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-cyclopropylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-cyclopropylquinoline-4-carboxamide
PubChem CID112802302
Molecular FormulaC27H32N4O3S
Molecular Weight492.65 g/mol
Exact Mass492.22
IUPAC Name2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-cyclopropylquinoline-4-carboxamide
SMILESCCC(C)c1ccc(S(=O)(=O)N2CCN(c3cc(C(=O)NC4CC4)c4ccccc4n3)CC2)cc1
InChIInChI=1S/C27H32N4O3S/c1-3-19(2)20-8-12-22(13-9-20)35(33,34)31-16-14-30(15-17-31)26-18-24(27(32)28-21-10-11-21)23-6-4-5-7-25(23)29-26/h4-9,12-13,18-19,21H,3,10-11,14-17H2,1-2H3,(H,28,32)
InChIKeyBTTCZOKYJMZGAG-UHFFFAOYSA-N
XLogP4.15
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.65
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-cyclopropylquinoline-4-carboxamide with MolForge

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Related Compounds

N-cyclopropyl-2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]quinoline-4-carboxamide
CID 133486230
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-propan-2-ylquinoline-4-carboxamide
CID 24617778
N-cyclopropyl-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]quinoline-4-carboxamide
CID 133281334
N-[1-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperidin-4-yl]benzenesulfonamide
CID 40952437
N-cyclopropyl-2-[3-(phenylcarbamoyl)piperidin-1-yl]quinoline-4-carboxamide
CID 134032376
N-cyclopropyl-2-(2-phenylpyrrolidin-1-yl)quinoline-4-carboxamide
CID 112812673
N-cyclopropyl-2-[2-(2-methylphenyl)morpholin-4-yl]quinoline-4-carboxamide
CID 133354287
cis-(1R,3S)-3-[(2-propan-2-ylquinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120678711
[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(2-methylphenyl)methanone
CID 43011160
N-propyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxamide
CID 117089242
N-cyclopropyl-2-(4-propan-2-ylphenyl)sulfanylquinoline-4-carboxamide
CID 5216224
[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-cyclobutylmethanone
CID 7944162

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-cyclopropylquinoline-4-carboxamide?
The IUPAC name of 2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-cyclopropylquinoline-4-carboxamide (CID 112802302) is 2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-cyclopropylquinoline-4-carboxamide.
What is the SMILES notation for 2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-cyclopropylquinoline-4-carboxamide?
The canonical SMILES for 2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-cyclopropylquinoline-4-carboxamide is CCC(C)c1ccc(S(=O)(=O)N2CCN(c3cc(C(=O)NC4CC4)c4ccccc4n3)CC2)cc1.
What is the InChIKey of 2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-cyclopropylquinoline-4-carboxamide?
The InChIKey is BTTCZOKYJMZGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O3S/c1-3-19(2)20-8-12-22(13-9-20)35(33,34)31-16-14-30(15-17-31)26-18-24(27(32)28-21-10-11-21)23-6-4-5-7-25(23)29-26/h4-9,12-13,18-19,21H,3,10-11,14-17H2,1-2H3,(H,28,32).
What are the key properties of 2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-cyclopropylquinoline-4-carboxamide?
2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-cyclopropylquinoline-4-carboxamide has a molecular weight of 492.65 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-cyclopropylquinoline-4-carboxamide is sourced from PubChem (CID 112802302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).