N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pentanamide

C17H26N2O3S — CID 17217685

IUPACN-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2C)cc1
InChIInChI=1S/C17H26N2O3S/c1-3-4-8-17(20)18-15-9-11-16(12-10-15)23(21,22)19-13-6-5-7-14(19)2/h9-12,14H,3-8,13H2,1-2H3,(H,18,20)
InChIKeyOTOJGYHPRVQTSC-UHFFFAOYSA-N
MW338.47 g/mol
LogP3.38
Rot. Bonds6

About N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pentanamide

N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pentanamide (PubChem CID 17217685) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pentanamide.

Molecular Properties

Compound NameN-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pentanamide
PubChem CID17217685
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2C)cc1
InChIInChI=1S/C17H26N2O3S/c1-3-4-8-17(20)18-15-9-11-16(12-10-15)23(21,22)19-13-6-5-7-14(19)2/h9-12,14H,3-8,13H2,1-2H3,(H,18,20)
InChIKeyOTOJGYHPRVQTSC-UHFFFAOYSA-N
XLogP3.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 19114634
1-(4-ethylphenyl)-3-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]thiourea
CID 27525385
N-heptyl-4-(2-methylpiperidin-1-yl)sulfonylaniline
CID 110826925
1-(4-methylphenyl)-3-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]thiourea
CID 27522605
1-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]-3-propan-2-ylthiourea
CID 27519312
4-butoxy-3,5-dichloro-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 18848779
3-chloro-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]propanamide
CID 17147787
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]octanamide
CID 4958592
2-methyl-1-(4-pentylphenyl)sulfonylpiperidine
CID 3419634
N-(4-chlorophenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 8762440
N-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]thiadiazole-4-carboxamide
CID 26819578
2-methyl-1-(4-propylphenyl)sulfonylpiperidine
CID 17375823

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pentanamide?
The IUPAC name of N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pentanamide (CID 17217685) is N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pentanamide.
What is the SMILES notation for N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pentanamide?
The canonical SMILES for N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pentanamide is CCCCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2C)cc1.
What is the InChIKey of N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pentanamide?
The InChIKey is OTOJGYHPRVQTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-3-4-8-17(20)18-15-9-11-16(12-10-15)23(21,22)19-13-6-5-7-14(19)2/h9-12,14H,3-8,13H2,1-2H3,(H,18,20).
What are the key properties of N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pentanamide?
N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pentanamide has a molecular weight of 338.47 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pentanamide is sourced from PubChem (CID 17217685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).