N-phenyl-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide

C21H26N2O3S — CID 55362996

IUPACN-phenyl-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide
SMILESCC(C)N(C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccc1
InChIInChI=1S/C21H26N2O3S/c1-17(2)23(19-11-5-3-6-12-19)21(24)18-10-9-13-20(16-18)27(25,26)22-14-7-4-8-15-22/h3,5-6,9-13,16-17H,4,7-8,14-15H2,1-2H3
InChIKeyNOELRNIHVIELHX-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.92
Rot. Bonds5

About N-phenyl-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide

N-phenyl-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide (PubChem CID 55362996) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-phenyl-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-phenyl-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide
PubChem CID55362996
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-phenyl-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide
SMILESCC(C)N(C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccc1
InChIInChI=1S/C21H26N2O3S/c1-17(2)23(19-11-5-3-6-12-19)21(24)18-10-9-13-20(16-18)27(25,26)22-14-7-4-8-15-22/h3,5-6,9-13,16-17H,4,7-8,14-15H2,1-2H3
InChIKeyNOELRNIHVIELHX-UHFFFAOYSA-N
XLogP3.92
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(azepan-1-ylsulfonyl)benzoyl]-butan-2-ylamino]acetic acid
CID 119954664
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 3-(azepan-1-ylsulfonyl)benzoate
CID 2545071
N-[(2S)-3-methylbutan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 92527690
[(2R)-1-oxo-1-phenylpropan-2-yl] 3-(azepan-1-ylsulfonyl)benzoate
CID 30825365
[(1R)-1-phenylethyl] 3-piperidin-1-ylsulfonylbenzoate
CID 7981410
N-[(2S)-2-phenylpropyl]-3-piperidin-1-ylsulfonylbenzamide
CID 9302186
N-ethyl-N-(3-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 109063269
N-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-phenylbenzamide
CID 50875377
N-[(2R)-butan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 34269316
N-benzhydryl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2420116
3-(azepan-1-ylsulfonyl)-N-[3-(N-methylanilino)propyl]benzamide
CID 26178010
1-phenylethyl 3-pyrrolidin-1-ylsulfonylbenzoate
CID 16521705

Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide?
The IUPAC name of N-phenyl-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide (CID 55362996) is N-phenyl-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide.
What is the SMILES notation for N-phenyl-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide?
The canonical SMILES for N-phenyl-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide is CC(C)N(C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccc1.
What is the InChIKey of N-phenyl-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide?
The InChIKey is NOELRNIHVIELHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-17(2)23(19-11-5-3-6-12-19)21(24)18-10-9-13-20(16-18)27(25,26)22-14-7-4-8-15-22/h3,5-6,9-13,16-17H,4,7-8,14-15H2,1-2H3.
What are the key properties of N-phenyl-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide?
N-phenyl-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide has a molecular weight of 386.52 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 55362996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).