N-(3-morpholin-4-ylpropyl)-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide

C19H31N3O4S2 — CID 53118897

IUPACN-(3-morpholin-4-ylpropyl)-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide
SMILESCC(C(=O)NCCCN1CCOCC1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C19H31N3O4S2/c1-16(19(23)20-7-3-8-21-11-13-26-14-12-21)17-5-9-22(10-6-17)28(24,25)18-4-2-15-27-18/h2,4,15-17H,3,5-14H2,1H3,(H,20,23)
InChIKeyIEOZOLHTJCFEQW-UHFFFAOYSA-N
MW429.61 g/mol
LogP1.62
Rot. Bonds8

About N-(3-morpholin-4-ylpropyl)-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide

N-(3-morpholin-4-ylpropyl)-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide (PubChem CID 53118897) has the molecular formula C19H31N3O4S2 and a molecular weight of 429.61 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide
PubChem CID53118897
Molecular FormulaC19H31N3O4S2
Molecular Weight429.61 g/mol
Exact Mass429.18
IUPAC NameN-(3-morpholin-4-ylpropyl)-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide
SMILESCC(C(=O)NCCCN1CCOCC1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C19H31N3O4S2/c1-16(19(23)20-7-3-8-21-11-13-26-14-12-21)17-5-9-22(10-6-17)28(24,25)18-4-2-15-27-18/h2,4,15-17H,3,5-14H2,1H3,(H,20,23)
InChIKeyIEOZOLHTJCFEQW-UHFFFAOYSA-N
XLogP1.62
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.61
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-[3-(4-methylpiperazin-1-yl)propyl]-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide
CID 95088721
(2S)-1-morpholin-4-yl-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propan-1-one
CID 95088696
N-[2-(furan-2-yl)ethyl]-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide
CID 53118935
(2R)-N-[2-(furan-2-yl)ethyl]-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide
CID 95088759
(2R)-N-[(4-chlorophenyl)methyl]-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide
CID 95088661
N-[[4-(dimethylamino)phenyl]methyl]-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide
CID 53118933
N-(pyridin-3-ylmethyl)-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide
CID 53118880
(2S)-N-(pyridin-3-ylmethyl)-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide
CID 95088658
2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-(3-piperidin-1-ylpropyl)propanamide
CID 53031704
N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 28564477
N-(3-morpholin-4-ylpropyl)-N'-[[(2S)-3-thiophen-2-ylsulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
CID 30484625
(3R)-N-(3-pyrrolidin-1-ylpropyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 94019515

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide (CID 53118897) is N-(3-morpholin-4-ylpropyl)-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide is CC(C(=O)NCCCN1CCOCC1)C1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide?
The InChIKey is IEOZOLHTJCFEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O4S2/c1-16(19(23)20-7-3-8-21-11-13-26-14-12-21)17-5-9-22(10-6-17)28(24,25)18-4-2-15-27-18/h2,4,15-17H,3,5-14H2,1H3,(H,20,23).
What are the key properties of N-(3-morpholin-4-ylpropyl)-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide?
N-(3-morpholin-4-ylpropyl)-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide has a molecular weight of 429.61 g/mol, XLogP of 1.62, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide is sourced from PubChem (CID 53118897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).