N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-(thiophen-2-ylsulfonylamino)propanamide

C17H22N4O4S2 — CID 55911991

IUPACN-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-(thiophen-2-ylsulfonylamino)propanamide
SMILESCC(NS(=O)(=O)c1cccs1)C(=O)NCc1cccnc1N1CCOCC1
InChIInChI=1S/C17H22N4O4S2/c1-13(20-27(23,24)15-5-3-11-26-15)17(22)19-12-14-4-2-6-18-16(14)21-7-9-25-10-8-21/h2-6,11,13,20H,7-10,12H2,1H3,(H,19,22)
InChIKeyQGCSTFRVYZBHEV-UHFFFAOYSA-N
MW410.52 g/mol
LogP0.96
Rot. Bonds7

About N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-(thiophen-2-ylsulfonylamino)propanamide

N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-(thiophen-2-ylsulfonylamino)propanamide (PubChem CID 55911991) has the molecular formula C17H22N4O4S2 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-(thiophen-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-(thiophen-2-ylsulfonylamino)propanamide
PubChem CID55911991
Molecular FormulaC17H22N4O4S2
Molecular Weight410.52 g/mol
Exact Mass410.11
IUPAC NameN-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-(thiophen-2-ylsulfonylamino)propanamide
SMILESCC(NS(=O)(=O)c1cccs1)C(=O)NCc1cccnc1N1CCOCC1
InChIInChI=1S/C17H22N4O4S2/c1-13(20-27(23,24)15-5-3-11-26-15)17(22)19-12-14-4-2-6-18-16(14)21-7-9-25-10-8-21/h2-6,11,13,20H,7-10,12H2,1H3,(H,19,22)
InChIKeyQGCSTFRVYZBHEV-UHFFFAOYSA-N
XLogP0.96
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-2-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pentanamide
CID 94045824
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)propanamide
CID 56523305
(2R)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-pyrazol-1-ylpropanamide
CID 94037913
1-ethyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 47226420
4-[[2-(thiophen-2-ylsulfonylamino)propanoylamino]methyl]oxane-4-carboxylic acid
CID 120542107
1-cyclopropyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(thiophen-2-ylmethyl)urea
CID 55797626
N-propyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 46820888
1-[1-(2-methylphenyl)ethyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 42954650
N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]thiophene-2-sulfonamide
CID 110285618
1-[2-(methoxymethyl)phenyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 55704978
1-[[(1R,2S)-2-methylcyclopropyl]methyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 94029265
N-[[3-(phenylmethoxymethyl)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)propanamide
CID 60556598

Frequently Asked Questions

What is the IUPAC name of N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-(thiophen-2-ylsulfonylamino)propanamide?
The IUPAC name of N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-(thiophen-2-ylsulfonylamino)propanamide (CID 55911991) is N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-(thiophen-2-ylsulfonylamino)propanamide.
What is the SMILES notation for N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-(thiophen-2-ylsulfonylamino)propanamide?
The canonical SMILES for N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-(thiophen-2-ylsulfonylamino)propanamide is CC(NS(=O)(=O)c1cccs1)C(=O)NCc1cccnc1N1CCOCC1.
What is the InChIKey of N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-(thiophen-2-ylsulfonylamino)propanamide?
The InChIKey is QGCSTFRVYZBHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4S2/c1-13(20-27(23,24)15-5-3-11-26-15)17(22)19-12-14-4-2-6-18-16(14)21-7-9-25-10-8-21/h2-6,11,13,20H,7-10,12H2,1H3,(H,19,22).
What are the key properties of N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-(thiophen-2-ylsulfonylamino)propanamide?
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-(thiophen-2-ylsulfonylamino)propanamide has a molecular weight of 410.52 g/mol, XLogP of 0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-(thiophen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 55911991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).