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

C19H25N3O3S2 — CID 118362933

IUPACN-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]butanamide
SMILESCCCC(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCCCC3C)cc2)cs1
InChIInChI=1S/C19H25N3O3S2/c1-3-6-18(23)21-19-20-17(13-26-19)15-8-10-16(11-9-15)27(24,25)22-12-5-4-7-14(22)2/h8-11,13-14H,3-7,12H2,1-2H3,(H,20,21,23)
InChIKeySLAMNMXSBVHYSJ-UHFFFAOYSA-N
MW407.56 g/mol
LogP4.11
Rot. Bonds6

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

N-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]butanamide (PubChem CID 118362933) has the molecular formula C19H25N3O3S2 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound NameN-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]butanamide
PubChem CID118362933
Molecular FormulaC19H25N3O3S2
Molecular Weight407.56 g/mol
Exact Mass407.13
IUPAC NameN-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]butanamide
SMILESCCCC(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCCCC3C)cc2)cs1
InChIInChI=1S/C19H25N3O3S2/c1-3-6-18(23)21-19-20-17(13-26-19)15-8-10-16(11-9-15)27(24,25)22-12-5-4-7-14(22)2/h8-11,13-14H,3-7,12H2,1-2H3,(H,20,21,23)
InChIKeySLAMNMXSBVHYSJ-UHFFFAOYSA-N
XLogP4.11
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 41073040
4-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 41073077
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 4080052
N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]formamide;ethane;methylcyclopentane;2-methyl-N-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]butanamide
CID 144915959
4-(2-methylpiperidin-1-yl)sulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 4198033
N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pentanamide
CID 17217685
4-[(2S)-2-ethylpiperidin-1-yl]sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 92693382
(2R)-1-(benzenesulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide
CID 2318282
(2R)-1-[4-(aminomethyl)phenyl]sulfonyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
CID 166554689
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 4205185
ethane;molecular hydrogen;N-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 144915932
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butanamide
CID 704241

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]butanamide?
The IUPAC name of N-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]butanamide (CID 118362933) is N-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for N-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for N-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]butanamide is CCCC(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCCCC3C)cc2)cs1.
What is the InChIKey of N-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]butanamide?
The InChIKey is SLAMNMXSBVHYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S2/c1-3-6-18(23)21-19-20-17(13-26-19)15-8-10-16(11-9-15)27(24,25)22-12-5-4-7-14(22)2/h8-11,13-14H,3-7,12H2,1-2H3,(H,20,21,23).
What are the key properties of N-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]butanamide?
N-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]butanamide has a molecular weight of 407.56 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 118362933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).