4-(4-aminopiperidin-1-yl)sulfonyl-2-fluoro-N-(2-phenylethyl)benzamide

C20H24FN3O3S — CID 71060085

IUPAC4-(4-aminopiperidin-1-yl)sulfonyl-2-fluoro-N-(2-phenylethyl)benzamide
SMILESNC1CCN(S(=O)(=O)c2ccc(C(=O)NCCc3ccccc3)c(F)c2)CC1
InChIInChI=1S/C20H24FN3O3S/c21-19-14-17(28(26,27)24-12-9-16(22)10-13-24)6-7-18(19)20(25)23-11-8-15-4-2-1-3-5-15/h1-7,14,16H,8-13,22H2,(H,23,25)
InChIKeyDRUKADXFVNKAHG-UHFFFAOYSA-N
MW405.50 g/mol
LogP1.91
Rot. Bonds6

About 4-(4-aminopiperidin-1-yl)sulfonyl-2-fluoro-N-(2-phenylethyl)benzamide

4-(4-aminopiperidin-1-yl)sulfonyl-2-fluoro-N-(2-phenylethyl)benzamide (PubChem CID 71060085) has the molecular formula C20H24FN3O3S and a molecular weight of 405.50 g/mol. Its IUPAC name is 4-(4-aminopiperidin-1-yl)sulfonyl-2-fluoro-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name4-(4-aminopiperidin-1-yl)sulfonyl-2-fluoro-N-(2-phenylethyl)benzamide
PubChem CID71060085
Molecular FormulaC20H24FN3O3S
Molecular Weight405.50 g/mol
Exact Mass405.15
IUPAC Name4-(4-aminopiperidin-1-yl)sulfonyl-2-fluoro-N-(2-phenylethyl)benzamide
SMILESNC1CCN(S(=O)(=O)c2ccc(C(=O)NCCc3ccccc3)c(F)c2)CC1
InChIInChI=1S/C20H24FN3O3S/c21-19-14-17(28(26,27)24-12-9-16(22)10-13-24)6-7-18(19)20(25)23-11-8-15-4-2-1-3-5-15/h1-7,14,16H,8-13,22H2,(H,23,25)
InChIKeyDRUKADXFVNKAHG-UHFFFAOYSA-N
XLogP1.91
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-(2-phenylethyl)-4-[4-(prop-2-enoylamino)piperidin-1-yl]sulfonylbenzamide
CID 86674087
2-chloro-N-(2-phenylethyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26534993
N-[2-[4-(4-benzylpiperidin-1-yl)sulfonylphenyl]ethyl]-5-chloro-2-methoxybenzamide
CID 171692060
2-chloro-5-morpholin-4-ylsulfonyl-N-(2-phenylethyl)benzamide
CID 27670888
2-fluoro-N-(2-phenylethyl)-4-[[2-(prop-2-enoylamino)-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-5-yl]sulfonyl]benzamide
CID 89238408
6-(4-methylpiperidin-1-yl)sulfonyl-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
CID 15995487
2-chloro-N-[2-(4-fluorophenyl)ethyl]-5-piperidin-1-ylsulfonylbenzamide
CID 4002004
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-fluorobenzamide
CID 39661741
N-[2-[(2-fluorobenzoyl)amino]ethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 55973791
N-(2-phenylethyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 20973683
N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]-2-chloro-6-fluorobenzamide
CID 108736474
3-fluoro-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzamide
CID 30125800

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminopiperidin-1-yl)sulfonyl-2-fluoro-N-(2-phenylethyl)benzamide?
The IUPAC name of 4-(4-aminopiperidin-1-yl)sulfonyl-2-fluoro-N-(2-phenylethyl)benzamide (CID 71060085) is 4-(4-aminopiperidin-1-yl)sulfonyl-2-fluoro-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 4-(4-aminopiperidin-1-yl)sulfonyl-2-fluoro-N-(2-phenylethyl)benzamide?
The canonical SMILES for 4-(4-aminopiperidin-1-yl)sulfonyl-2-fluoro-N-(2-phenylethyl)benzamide is NC1CCN(S(=O)(=O)c2ccc(C(=O)NCCc3ccccc3)c(F)c2)CC1.
What is the InChIKey of 4-(4-aminopiperidin-1-yl)sulfonyl-2-fluoro-N-(2-phenylethyl)benzamide?
The InChIKey is DRUKADXFVNKAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3S/c21-19-14-17(28(26,27)24-12-9-16(22)10-13-24)6-7-18(19)20(25)23-11-8-15-4-2-1-3-5-15/h1-7,14,16H,8-13,22H2,(H,23,25).
What are the key properties of 4-(4-aminopiperidin-1-yl)sulfonyl-2-fluoro-N-(2-phenylethyl)benzamide?
4-(4-aminopiperidin-1-yl)sulfonyl-2-fluoro-N-(2-phenylethyl)benzamide has a molecular weight of 405.50 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminopiperidin-1-yl)sulfonyl-2-fluoro-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 71060085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).