3-(4-piperidin-1-ylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide

C17H21N3O3S2 — CID 8762980

IUPAC3-(4-piperidin-1-ylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1nccs1
InChIInChI=1S/C17H21N3O3S2/c21-16(19-17-18-10-13-24-17)9-6-14-4-7-15(8-5-14)25(22,23)20-11-2-1-3-12-20/h4-5,7-8,10,13H,1-3,6,9,11-12H2,(H,18,19,21)
InChIKeyCLUXCBIXRJBEKS-UHFFFAOYSA-N
MW379.51 g/mol
LogP2.89
Rot. Bonds6

About 3-(4-piperidin-1-ylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide

3-(4-piperidin-1-ylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 8762980) has the molecular formula C17H21N3O3S2 and a molecular weight of 379.51 g/mol. Its IUPAC name is 3-(4-piperidin-1-ylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-piperidin-1-ylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID8762980
Molecular FormulaC17H21N3O3S2
Molecular Weight379.51 g/mol
Exact Mass379.10
IUPAC Name3-(4-piperidin-1-ylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1nccs1
InChIInChI=1S/C17H21N3O3S2/c21-16(19-17-18-10-13-24-17)9-6-14-4-7-15(8-5-14)25(22,23)20-11-2-1-3-12-20/h4-5,7-8,10,13H,1-3,6,9,11-12H2,(H,18,19,21)
InChIKeyCLUXCBIXRJBEKS-UHFFFAOYSA-N
XLogP2.89
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 29369533
N-pyridin-4-yl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27700420
N-(4-methyl-2-pyridinyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 35029071
N-piperidin-1-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 9271161
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-thiophen-2-ylphenyl)propanamide
CID 16577582
3-(5-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 50777025
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(6-methyl-2-pyridinyl)propanamide
CID 35036483
N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 134044739
N-(6-amino-3-pyridinyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 119515432
3-(4-piperidin-1-ylsulfonylphenyl)-N-quinolin-2-ylpropanamide
CID 46655053
sodium 3-(4-piperidin-1-ylsulfonylphenyl)propanoate
CID 23692705
2-chloro-5-pyrrolidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 8762849

Frequently Asked Questions

What is the IUPAC name of 3-(4-piperidin-1-ylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(4-piperidin-1-ylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide (CID 8762980) is 3-(4-piperidin-1-ylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(4-piperidin-1-ylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(4-piperidin-1-ylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide is O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1nccs1.
What is the InChIKey of 3-(4-piperidin-1-ylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is CLUXCBIXRJBEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S2/c21-16(19-17-18-10-13-24-17)9-6-14-4-7-15(8-5-14)25(22,23)20-11-2-1-3-12-20/h4-5,7-8,10,13H,1-3,6,9,11-12H2,(H,18,19,21).
What are the key properties of 3-(4-piperidin-1-ylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide?
3-(4-piperidin-1-ylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 379.51 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-piperidin-1-ylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 8762980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).