N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide

C21H28N4O5S — CID 55825597

IUPACN-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide
SMILESCC(C)Oc1ccc(NS(=O)(=O)CC(=O)NCc2ccnc(N3CCOCC3)c2)cc1
InChIInChI=1S/C21H28N4O5S/c1-16(2)30-19-5-3-18(4-6-19)24-31(27,28)15-21(26)23-14-17-7-8-22-20(13-17)25-9-11-29-12-10-25/h3-8,13,16,24H,9-12,14-15H2,1-2H3,(H,23,26)
InChIKeyXGFHZDZXLRBUHD-UHFFFAOYSA-N
MW448.55 g/mol
LogP1.76
Rot. Bonds9

About N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide

N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide (PubChem CID 55825597) has the molecular formula C21H28N4O5S and a molecular weight of 448.55 g/mol. Its IUPAC name is N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide.

Molecular Properties

Compound NameN-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide
PubChem CID55825597
Molecular FormulaC21H28N4O5S
Molecular Weight448.55 g/mol
Exact Mass448.18
IUPAC NameN-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide
SMILESCC(C)Oc1ccc(NS(=O)(=O)CC(=O)NCc2ccnc(N3CCOCC3)c2)cc1
InChIInChI=1S/C21H28N4O5S/c1-16(2)30-19-5-3-18(4-6-19)24-31(27,28)15-21(26)23-14-17-7-8-22-20(13-17)25-9-11-29-12-10-25/h3-8,13,16,24H,9-12,14-15H2,1-2H3,(H,23,26)
InChIKeyXGFHZDZXLRBUHD-UHFFFAOYSA-N
XLogP1.76
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide with MolForge

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Related Compounds

2-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
CID 32585275
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide
CID 32585359
(2S)-2-methylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
CID 94068233
1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-propan-2-ylurea
CID 36506612
3-methyl-N-[4-[(2-morpholin-4-yl-4-pyridinyl)methylcarbamoylamino]phenyl]butanamide
CID 55698495
2-(2-methylphenyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]acetamide
CID 32586117
2-(2-morpholin-4-yl-4-pyridinyl)-N-[(4-propan-2-yloxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 53119289
N-[(4-nitrophenyl)methyl]-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide
CID 55982640
tert-butyl N-[3-[(2-morpholin-4-yl-4-pyridinyl)methylamino]-3-oxopropyl]carbamate
CID 32586659
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 32587077
2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]acetamide
CID 46592041
1-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea
CID 55922865

Frequently Asked Questions

What is the IUPAC name of N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide?
The IUPAC name of N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide (CID 55825597) is N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide.
What is the SMILES notation for N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide?
The canonical SMILES for N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide is CC(C)Oc1ccc(NS(=O)(=O)CC(=O)NCc2ccnc(N3CCOCC3)c2)cc1.
What is the InChIKey of N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide?
The InChIKey is XGFHZDZXLRBUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O5S/c1-16(2)30-19-5-3-18(4-6-19)24-31(27,28)15-21(26)23-14-17-7-8-22-20(13-17)25-9-11-29-12-10-25/h3-8,13,16,24H,9-12,14-15H2,1-2H3,(H,23,26).
What are the key properties of N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide?
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide has a molecular weight of 448.55 g/mol, XLogP of 1.76, 9 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-4-pyridinyl)methyl]-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide is sourced from PubChem (CID 55825597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).