N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-3-(furan-2-yl)propanamide

C20H27N3O4S — CID 33297922

IUPACN-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-3-(furan-2-yl)propanamide
SMILESCN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCc1ccco1
InChIInChI=1S/C20H27N3O4S/c1-22(2)19-10-9-17(28(25,26)23-12-4-3-5-13-23)15-18(19)21-20(24)11-8-16-7-6-14-27-16/h6-7,9-10,14-15H,3-5,8,11-13H2,1-2H3,(H,21,24)
InChIKeyLVIUTQNYIARYHY-UHFFFAOYSA-N
MW405.52 g/mol
LogP3.09
Rot. Bonds7

About N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-3-(furan-2-yl)propanamide

N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-3-(furan-2-yl)propanamide (PubChem CID 33297922) has the molecular formula C20H27N3O4S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-3-(furan-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-3-(furan-2-yl)propanamide
PubChem CID33297922
Molecular FormulaC20H27N3O4S
Molecular Weight405.52 g/mol
Exact Mass405.17
IUPAC NameN-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-3-(furan-2-yl)propanamide
SMILESCN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCc1ccco1
InChIInChI=1S/C20H27N3O4S/c1-22(2)19-10-9-17(28(25,26)23-12-4-3-5-13-23)15-18(19)21-20(24)11-8-16-7-6-14-27-16/h6-7,9-10,14-15H,3-5,8,11-13H2,1-2H3,(H,21,24)
InChIKeyLVIUTQNYIARYHY-UHFFFAOYSA-N
XLogP3.09
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(furan-2-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)propanamide
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CID 33297350
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 55605980
3-(furan-2-yl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 31494184
N-[3-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]-3-oxopropyl]-3-methylbenzamide
CID 26292461
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]cyclopropanecarboxamide
CID 26292561
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 24506070
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 24980261
[2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]-(furan-2-ylmethyl)azanium
CID 7434647
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 29431549
1-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-3-(2-ethylphenyl)thiourea
CID 55426927
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 25336526

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-3-(furan-2-yl)propanamide?
The IUPAC name of N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-3-(furan-2-yl)propanamide (CID 33297922) is N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-3-(furan-2-yl)propanamide.
What is the SMILES notation for N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-3-(furan-2-yl)propanamide?
The canonical SMILES for N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-3-(furan-2-yl)propanamide is CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCc1ccco1.
What is the InChIKey of N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-3-(furan-2-yl)propanamide?
The InChIKey is LVIUTQNYIARYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4S/c1-22(2)19-10-9-17(28(25,26)23-12-4-3-5-13-23)15-18(19)21-20(24)11-8-16-7-6-14-27-16/h6-7,9-10,14-15H,3-5,8,11-13H2,1-2H3,(H,21,24).
What are the key properties of N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-3-(furan-2-yl)propanamide?
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-3-(furan-2-yl)propanamide has a molecular weight of 405.52 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-3-(furan-2-yl)propanamide is sourced from PubChem (CID 33297922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).