N-[4-[1-(3-fluoro-4-methylsulfonylbenzoyl)piperidin-4-yl]phenyl]-1H-indole-7-carboxamide

C28H26FN3O4S — CID 171681802

IUPACN-[4-[1-(3-fluoro-4-methylsulfonylbenzoyl)piperidin-4-yl]phenyl]-1H-indole-7-carboxamide
SMILESCS(=O)(=O)c1ccc(C(=O)N2CCC(c3ccc(NC(=O)c4cccc5cc[nH]c45)cc3)CC2)cc1F
InChIInChI=1S/C28H26FN3O4S/c1-37(35,36)25-10-7-21(17-24(25)29)28(34)32-15-12-19(13-16-32)18-5-8-22(9-6-18)31-27(33)23-4-2-3-20-11-14-30-26(20)23/h2-11,14,17,19,30H,12-13,15-16H2,1H3,(H,31,33)
InChIKeyBABJEPIBBDIEST-UHFFFAOYSA-N
MW519.60 g/mol
LogP4.98
Rot. Bonds5

About N-[4-[1-(3-fluoro-4-methylsulfonylbenzoyl)piperidin-4-yl]phenyl]-1H-indole-7-carboxamide

N-[4-[1-(3-fluoro-4-methylsulfonylbenzoyl)piperidin-4-yl]phenyl]-1H-indole-7-carboxamide (PubChem CID 171681802) has the molecular formula C28H26FN3O4S and a molecular weight of 519.60 g/mol. Its IUPAC name is N-[4-[1-(3-fluoro-4-methylsulfonylbenzoyl)piperidin-4-yl]phenyl]-1H-indole-7-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(3-fluoro-4-methylsulfonylbenzoyl)piperidin-4-yl]phenyl]-1H-indole-7-carboxamide
PubChem CID171681802
Molecular FormulaC28H26FN3O4S
Molecular Weight519.60 g/mol
Exact Mass519.16
IUPAC NameN-[4-[1-(3-fluoro-4-methylsulfonylbenzoyl)piperidin-4-yl]phenyl]-1H-indole-7-carboxamide
SMILESCS(=O)(=O)c1ccc(C(=O)N2CCC(c3ccc(NC(=O)c4cccc5cc[nH]c45)cc3)CC2)cc1F
InChIInChI=1S/C28H26FN3O4S/c1-37(35,36)25-10-7-21(17-24(25)29)28(34)32-15-12-19(13-16-32)18-5-8-22(9-6-18)31-27(33)23-4-2-3-20-11-14-30-26(20)23/h2-11,14,17,19,30H,12-13,15-16H2,1H3,(H,31,33)
InChIKeyBABJEPIBBDIEST-UHFFFAOYSA-N
XLogP4.98
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.60
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[1-(3-fluoro-4-methylsulfonylbenzoyl)piperidin-4-yl]phenyl]quinoline-6-carboxamide
CID 171678356
ethyl 2-fluoro-3-[[4-[1-(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)piperidin-4-yl]phenyl]carbamoyl]benzoate
CID 171681767
ethyl 4-[4-[4-[(3-fluoro-2-nitrobenzoyl)amino]phenyl]piperidine-1-carbonyl]benzoate
CID 171678343
N-[4-[1-[4-(cyclopropylmethoxy)benzoyl]piperidin-4-yl]phenyl]-3-methylsulfonylbenzamide
CID 171685436
2,6-dimethoxy-N-[4-[1-[4-[(2-methylpropan-2-yl)oxy]benzoyl]piperidin-4-yl]phenyl]benzamide
CID 171685751
4-bromo-N-[4-[1-[4-(cyclopropanecarbonylamino)benzoyl]piperidin-4-yl]phenyl]-2,5-difluorobenzamide
CID 171681485
N-[4-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]phenyl]-3-fluoro-2-nitrobenzamide
CID 171684890
methyl 4-[2-[4-[1-(6-fluoro-1H-indole-5-carbonyl)piperidin-4-yl]anilino]-2-oxoethoxy]benzoate
CID 171683316
4-chloro-N-[4-[1-(3,5-dimethoxy-4-methylbenzoyl)piperidin-4-yl]phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 171685466
N-[4-[1-(3-methylsulfonylbenzoyl)piperidin-4-yl]phenyl]thieno[3,2-b]thiophene-5-carboxamide
CID 171684721
methyl 6-[4-[4-([1,2,4]triazolo[1,5-a]pyridine-2-carbonylamino)phenyl]piperidine-1-carbonyl]naphthalene-2-carboxylate
CID 171681800
N-[4-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]phenyl]-7-fluoro-2H-indazole-3-carboxamide
CID 171685415

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(3-fluoro-4-methylsulfonylbenzoyl)piperidin-4-yl]phenyl]-1H-indole-7-carboxamide?
The IUPAC name of N-[4-[1-(3-fluoro-4-methylsulfonylbenzoyl)piperidin-4-yl]phenyl]-1H-indole-7-carboxamide (CID 171681802) is N-[4-[1-(3-fluoro-4-methylsulfonylbenzoyl)piperidin-4-yl]phenyl]-1H-indole-7-carboxamide.
What is the SMILES notation for N-[4-[1-(3-fluoro-4-methylsulfonylbenzoyl)piperidin-4-yl]phenyl]-1H-indole-7-carboxamide?
The canonical SMILES for N-[4-[1-(3-fluoro-4-methylsulfonylbenzoyl)piperidin-4-yl]phenyl]-1H-indole-7-carboxamide is CS(=O)(=O)c1ccc(C(=O)N2CCC(c3ccc(NC(=O)c4cccc5cc[nH]c45)cc3)CC2)cc1F.
What is the InChIKey of N-[4-[1-(3-fluoro-4-methylsulfonylbenzoyl)piperidin-4-yl]phenyl]-1H-indole-7-carboxamide?
The InChIKey is BABJEPIBBDIEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN3O4S/c1-37(35,36)25-10-7-21(17-24(25)29)28(34)32-15-12-19(13-16-32)18-5-8-22(9-6-18)31-27(33)23-4-2-3-20-11-14-30-26(20)23/h2-11,14,17,19,30H,12-13,15-16H2,1H3,(H,31,33).
What are the key properties of N-[4-[1-(3-fluoro-4-methylsulfonylbenzoyl)piperidin-4-yl]phenyl]-1H-indole-7-carboxamide?
N-[4-[1-(3-fluoro-4-methylsulfonylbenzoyl)piperidin-4-yl]phenyl]-1H-indole-7-carboxamide has a molecular weight of 519.60 g/mol, XLogP of 4.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(3-fluoro-4-methylsulfonylbenzoyl)piperidin-4-yl]phenyl]-1H-indole-7-carboxamide is sourced from PubChem (CID 171681802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).