N-cyclopropylsulfonyl-5-ethenyl-2-fluoro-4-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]benzamide

C23H27FN4O3S — CID 162153391

IUPACN-cyclopropylsulfonyl-5-ethenyl-2-fluoro-4-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]benzamide
SMILESC=Cc1cc(C(=O)NS(=O)(=O)C2CC2)c(F)cc1CN1CCN(c2ccc(C)cn2)CC1
InChIInChI=1S/C23H27FN4O3S/c1-3-17-12-20(23(29)26-32(30,31)19-5-6-19)21(24)13-18(17)15-27-8-10-28(11-9-27)22-7-4-16(2)14-25-22/h3-4,7,12-14,19H,1,5-6,8-11,15H2,2H3,(H,26,29)
InChIKeyYHWSFKVXAPMTPQ-UHFFFAOYSA-N
MW458.56 g/mol
LogP2.72
Rot. Bonds7

About N-cyclopropylsulfonyl-5-ethenyl-2-fluoro-4-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]benzamide

N-cyclopropylsulfonyl-5-ethenyl-2-fluoro-4-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]benzamide (PubChem CID 162153391) has the molecular formula C23H27FN4O3S and a molecular weight of 458.56 g/mol. Its IUPAC name is N-cyclopropylsulfonyl-5-ethenyl-2-fluoro-4-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropylsulfonyl-5-ethenyl-2-fluoro-4-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]benzamide
PubChem CID162153391
Molecular FormulaC23H27FN4O3S
Molecular Weight458.56 g/mol
Exact Mass458.18
IUPAC NameN-cyclopropylsulfonyl-5-ethenyl-2-fluoro-4-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]benzamide
SMILESC=Cc1cc(C(=O)NS(=O)(=O)C2CC2)c(F)cc1CN1CCN(c2ccc(C)cn2)CC1
InChIInChI=1S/C23H27FN4O3S/c1-3-17-12-20(23(29)26-32(30,31)19-5-6-19)21(24)13-18(17)15-27-8-10-28(11-9-27)22-7-4-16(2)14-25-22/h3-4,7,12-14,19H,1,5-6,8-11,15H2,2H3,(H,26,29)
InChIKeyYHWSFKVXAPMTPQ-UHFFFAOYSA-N
XLogP2.72
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclopropylsulfonyl-5-ethenyl-2-fluoro-4-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropylsulfonyl-5-ethyl-2-fluoro-4-[[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]benzamide
CID 137432458
5-cyclopropyl-N-cyclopropylsulfonyl-4-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-2-fluorobenzamide
CID 137432454
2,4-difluoro-N-[6-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide
CID 42850153
5-cyclopropyl-N-cyclopropylsulfonyl-4-[[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-2-fluorobenzamide;2,2,2-trifluoroacetic acid
CID 118110586
(4-bromo-2-fluorophenyl)-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone
CID 58484600
ethane;1-(5-methyl-2-pyridinyl)-4-methylsulfonylpiperazine
CID 143863753
4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine
CID 43252517
2-methyl-1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]propan-1-one
CID 155710623
1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]ethanone
CID 63845665
5-cyclopropyl-4-[[4-(3,5-dichlorophenyl)sulfonylpiperidin-1-yl]methyl]-2-fluoro-N-methylsulfonylbenzamide
CID 118353569
N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-3-(4-phenylpiperazin-1-yl)propanamide
CID 91026152
3-methyl-N-[6-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide
CID 46157259

Frequently Asked Questions

What is the IUPAC name of N-cyclopropylsulfonyl-5-ethenyl-2-fluoro-4-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]benzamide?
The IUPAC name of N-cyclopropylsulfonyl-5-ethenyl-2-fluoro-4-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]benzamide (CID 162153391) is N-cyclopropylsulfonyl-5-ethenyl-2-fluoro-4-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]benzamide.
What is the SMILES notation for N-cyclopropylsulfonyl-5-ethenyl-2-fluoro-4-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]benzamide?
The canonical SMILES for N-cyclopropylsulfonyl-5-ethenyl-2-fluoro-4-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]benzamide is C=Cc1cc(C(=O)NS(=O)(=O)C2CC2)c(F)cc1CN1CCN(c2ccc(C)cn2)CC1.
What is the InChIKey of N-cyclopropylsulfonyl-5-ethenyl-2-fluoro-4-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]benzamide?
The InChIKey is YHWSFKVXAPMTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O3S/c1-3-17-12-20(23(29)26-32(30,31)19-5-6-19)21(24)13-18(17)15-27-8-10-28(11-9-27)22-7-4-16(2)14-25-22/h3-4,7,12-14,19H,1,5-6,8-11,15H2,2H3,(H,26,29).
What are the key properties of N-cyclopropylsulfonyl-5-ethenyl-2-fluoro-4-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]benzamide?
N-cyclopropylsulfonyl-5-ethenyl-2-fluoro-4-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]benzamide has a molecular weight of 458.56 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylsulfonyl-5-ethenyl-2-fluoro-4-[[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methyl]benzamide is sourced from PubChem (CID 162153391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).