N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide

C20H27N3O4S2 — CID 24560165

IUPACN-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESCC(C)CN1CCOC(CNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)C1
InChIInChI=1S/C20H27N3O4S2/c1-15(2)13-23-9-10-27-18(14-23)12-21-20(24)16-5-7-17(8-6-16)22-29(25,26)19-4-3-11-28-19/h3-8,11,15,18,22H,9-10,12-14H2,1-2H3,(H,21,24)
InChIKeyLPFPDQMKQZEWLB-UHFFFAOYSA-N
MW437.59 g/mol
LogP2.64
Rot. Bonds8

About N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide

N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 24560165) has the molecular formula C20H27N3O4S2 and a molecular weight of 437.59 g/mol. Its IUPAC name is N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID24560165
Molecular FormulaC20H27N3O4S2
Molecular Weight437.59 g/mol
Exact Mass437.14
IUPAC NameN-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESCC(C)CN1CCOC(CNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)C1
InChIInChI=1S/C20H27N3O4S2/c1-15(2)13-23-9-10-27-18(14-23)12-21-20(24)16-5-7-17(8-6-16)22-29(25,26)19-4-3-11-28-19/h3-8,11,15,18,22H,9-10,12-14H2,1-2H3,(H,21,24)
InChIKeyLPFPDQMKQZEWLB-UHFFFAOYSA-N
XLogP2.64
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]thiophene-2-carboxamide
CID 35362501
4-acetamido-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 17479762
4-(diethylsulfamoyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 8511153
N-[[(2S)-oxolan-2-yl]methyl]-3,5-bis(thiophen-2-ylsulfonylamino)benzamide
CID 2336673
4-(benzimidazol-1-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 24625208
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 24642334
2-chloro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyridine-4-carboxamide
CID 35365780
2,6-difluoro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 39485652
3-cyano-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 35361039
N-[4-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide
CID 55349251
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-nitrobenzamide
CID 42887586
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 51074161

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide (CID 24560165) is N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide is CC(C)CN1CCOC(CNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)C1.
What is the InChIKey of N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is LPFPDQMKQZEWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4S2/c1-15(2)13-23-9-10-27-18(14-23)12-21-20(24)16-5-7-17(8-6-16)22-29(25,26)19-4-3-11-28-19/h3-8,11,15,18,22H,9-10,12-14H2,1-2H3,(H,21,24).
What are the key properties of N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 437.59 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 24560165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).