N-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]pentanamide

C20H27N3O3S2 — CID 70680661

IUPACN-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]pentanamide
SMILESCCCCC(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cs1
InChIInChI=1S/C20H27N3O3S2/c1-3-4-5-19(24)22-20-21-18(14-27-20)16-6-8-17(9-7-16)28(25,26)23-12-10-15(2)11-13-23/h6-9,14-15H,3-5,10-13H2,1-2H3,(H,21,22,24)
InChIKeyVYQMFMMKDYFTRR-UHFFFAOYSA-N
MW421.59 g/mol
LogP4.36
Rot. Bonds7

About N-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]pentanamide

N-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]pentanamide (PubChem CID 70680661) has the molecular formula C20H27N3O3S2 and a molecular weight of 421.59 g/mol. Its IUPAC name is N-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]pentanamide.

Molecular Properties

Compound NameN-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]pentanamide
PubChem CID70680661
Molecular FormulaC20H27N3O3S2
Molecular Weight421.59 g/mol
Exact Mass421.15
IUPAC NameN-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]pentanamide
SMILESCCCCC(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cs1
InChIInChI=1S/C20H27N3O3S2/c1-3-4-5-19(24)22-20-21-18(14-27-20)16-6-8-17(9-7-16)28(25,26)23-12-10-15(2)11-13-23/h6-9,14-15H,3-5,10-13H2,1-2H3,(H,21,22,24)
InChIKeyVYQMFMMKDYFTRR-UHFFFAOYSA-N
XLogP4.36
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]pentanamide?
The IUPAC name of N-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]pentanamide (CID 70680661) is N-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]pentanamide.
What is the SMILES notation for N-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]pentanamide?
The canonical SMILES for N-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]pentanamide is CCCCC(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cs1.
What is the InChIKey of N-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]pentanamide?
The InChIKey is VYQMFMMKDYFTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S2/c1-3-4-5-19(24)22-20-21-18(14-27-20)16-6-8-17(9-7-16)28(25,26)23-12-10-15(2)11-13-23/h6-9,14-15H,3-5,10-13H2,1-2H3,(H,21,22,24).
What are the key properties of N-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]pentanamide?
N-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]pentanamide has a molecular weight of 421.59 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]pentanamide is sourced from PubChem (CID 70680661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).