N-[5-[6-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]thiophen-3-yl]pentanamide

C19H26N4O3S2 — CID 168878475

IUPACN-[5-[6-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]thiophen-3-yl]pentanamide
SMILESCCCCC(=O)Nc1csc(-c2cncc(C3CCN(S(C)(=O)=O)CC3)n2)c1
InChIInChI=1S/C19H26N4O3S2/c1-3-4-5-19(24)21-15-10-18(27-13-15)17-12-20-11-16(22-17)14-6-8-23(9-7-14)28(2,25)26/h10-14H,3-9H2,1-2H3,(H,21,24)
InChIKeyGDBTUJFSZNEVIJ-UHFFFAOYSA-N
MW422.58 g/mol
LogP3.47
Rot. Bonds7

About N-[5-[6-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]thiophen-3-yl]pentanamide

N-[5-[6-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]thiophen-3-yl]pentanamide (PubChem CID 168878475) has the molecular formula C19H26N4O3S2 and a molecular weight of 422.58 g/mol. Its IUPAC name is N-[5-[6-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]thiophen-3-yl]pentanamide.

Molecular Properties

Compound NameN-[5-[6-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]thiophen-3-yl]pentanamide
PubChem CID168878475
Molecular FormulaC19H26N4O3S2
Molecular Weight422.58 g/mol
Exact Mass422.14
IUPAC NameN-[5-[6-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]thiophen-3-yl]pentanamide
SMILESCCCCC(=O)Nc1csc(-c2cncc(C3CCN(S(C)(=O)=O)CC3)n2)c1
InChIInChI=1S/C19H26N4O3S2/c1-3-4-5-19(24)21-15-10-18(27-13-15)17-12-20-11-16(22-17)14-6-8-23(9-7-14)28(2,25)26/h10-14H,3-9H2,1-2H3,(H,21,24)
InChIKeyGDBTUJFSZNEVIJ-UHFFFAOYSA-N
XLogP3.47
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.58
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[6-(4-chloro-3-methoxyphenyl)pyrazin-2-yl]thiophen-3-yl]pentanamide
CID 170178382
2-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylpiperidin-4-yl)pyrazine
CID 175652292
2-methoxy-4-[6-[4-(pentanoylamino)thiophen-2-yl]pyrazin-2-yl]-N-(2H-tetrazol-5-yl)benzamide
CID 170177984
2-(5-methyl-1H-pyrazol-4-yl)-6-(1-methylsulfonylpiperidin-4-yl)pyrazine
CID 110102242
N-(5-chlorothiophen-3-yl)pentanamide
CID 130711050
5-[6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazole
CID 125012790
N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)pentanamide
CID 16929978
5-[6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]pyridine-3-carboxylic acid
CID 125005344
3-[6-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-oxazolidin-2-one
CID 110098932
N-(1-methylsulfonyl-3-oxoazepan-4-yl)pentanamide
CID 157480861
N-(6-butyl-1,3-benzothiazol-2-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 24603334
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]octanamide
CID 4958592

Frequently Asked Questions

What is the IUPAC name of N-[5-[6-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]thiophen-3-yl]pentanamide?
The IUPAC name of N-[5-[6-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]thiophen-3-yl]pentanamide (CID 168878475) is N-[5-[6-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]thiophen-3-yl]pentanamide.
What is the SMILES notation for N-[5-[6-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]thiophen-3-yl]pentanamide?
The canonical SMILES for N-[5-[6-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]thiophen-3-yl]pentanamide is CCCCC(=O)Nc1csc(-c2cncc(C3CCN(S(C)(=O)=O)CC3)n2)c1.
What is the InChIKey of N-[5-[6-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]thiophen-3-yl]pentanamide?
The InChIKey is GDBTUJFSZNEVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S2/c1-3-4-5-19(24)21-15-10-18(27-13-15)17-12-20-11-16(22-17)14-6-8-23(9-7-14)28(2,25)26/h10-14H,3-9H2,1-2H3,(H,21,24).
What are the key properties of N-[5-[6-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]thiophen-3-yl]pentanamide?
N-[5-[6-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]thiophen-3-yl]pentanamide has a molecular weight of 422.58 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]thiophen-3-yl]pentanamide is sourced from PubChem (CID 168878475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).