N-(4-fluoro-2-methylphenyl)-1,5-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide

C19H24FN3O3S — CID 53068913

IUPACN-(4-fluoro-2-methylphenyl)-1,5-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
SMILESCc1cc(F)ccc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)c(C)n1C
InChIInChI=1S/C19H24FN3O3S/c1-13-11-15(20)7-8-16(13)21-19(24)17-12-18(14(2)22(17)3)27(25,26)23-9-5-4-6-10-23/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,21,24)
InChIKeyLFROZYQIQKXXGU-UHFFFAOYSA-N
MW393.48 g/mol
LogP3.21
Rot. Bonds4

About N-(4-fluoro-2-methylphenyl)-1,5-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide

N-(4-fluoro-2-methylphenyl)-1,5-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide (PubChem CID 53068913) has the molecular formula C19H24FN3O3S and a molecular weight of 393.48 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-1,5-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-1,5-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
PubChem CID53068913
Molecular FormulaC19H24FN3O3S
Molecular Weight393.48 g/mol
Exact Mass393.15
IUPAC NameN-(4-fluoro-2-methylphenyl)-1,5-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
SMILESCc1cc(F)ccc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)c(C)n1C
InChIInChI=1S/C19H24FN3O3S/c1-13-11-15(20)7-8-16(13)21-19(24)17-12-18(14(2)22(17)3)27(25,26)23-9-5-4-6-10-23/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,21,24)
InChIKeyLFROZYQIQKXXGU-UHFFFAOYSA-N
XLogP3.21
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-1,5-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 53068868
N-(2,5-dimethylphenyl)-1,5-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 53068882
N-(4-fluoro-2-methylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 26239904
methyl 4-[(1,5-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)amino]benzoate
CID 53068920
N-(3,4-dimethoxyphenyl)-1,5-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 53068846
N-cycloheptyl-1,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 53068779
N-(4-fluoro-2-methylphenyl)-3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 53005325
N-(2-chloro-4-methylphenyl)-1,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide
CID 53068968
4-chloro-N-(2-chloro-4-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 26693077
N-(4-bromo-2-methylphenyl)-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide
CID 46450377
ethyl 3-[(1,5-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)amino]benzoate
CID 53068865
N-[(2-methoxyphenyl)methyl]-1,5-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 53068896

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-1,5-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-1,5-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide (CID 53068913) is N-(4-fluoro-2-methylphenyl)-1,5-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-1,5-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-1,5-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide is Cc1cc(F)ccc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)c(C)n1C.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-1,5-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide?
The InChIKey is LFROZYQIQKXXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O3S/c1-13-11-15(20)7-8-16(13)21-19(24)17-12-18(14(2)22(17)3)27(25,26)23-9-5-4-6-10-23/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,21,24).
What are the key properties of N-(4-fluoro-2-methylphenyl)-1,5-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide?
N-(4-fluoro-2-methylphenyl)-1,5-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide has a molecular weight of 393.48 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-1,5-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide is sourced from PubChem (CID 53068913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).