N-[[5-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]sulfamoyl]thiophen-2-yl]methyl]acetamide

C20H27N3O4S2 — CID 55681813

IUPACN-[[5-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]sulfamoyl]thiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)NCC(c2cccc(C)c2)N2CCOCC2)s1
InChIInChI=1S/C20H27N3O4S2/c1-15-4-3-5-17(12-15)19(23-8-10-27-11-9-23)14-22-29(25,26)20-7-6-18(28-20)13-21-16(2)24/h3-7,12,19,22H,8-11,13-14H2,1-2H3,(H,21,24)
InChIKeyCUCHNPWTBFTBPO-UHFFFAOYSA-N
MW437.59 g/mol
LogP2.04
Rot. Bonds8

About N-[[5-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]sulfamoyl]thiophen-2-yl]methyl]acetamide

N-[[5-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]sulfamoyl]thiophen-2-yl]methyl]acetamide (PubChem CID 55681813) has the molecular formula C20H27N3O4S2 and a molecular weight of 437.59 g/mol. Its IUPAC name is N-[[5-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]sulfamoyl]thiophen-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]sulfamoyl]thiophen-2-yl]methyl]acetamide
PubChem CID55681813
Molecular FormulaC20H27N3O4S2
Molecular Weight437.59 g/mol
Exact Mass437.14
IUPAC NameN-[[5-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]sulfamoyl]thiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)NCC(c2cccc(C)c2)N2CCOCC2)s1
InChIInChI=1S/C20H27N3O4S2/c1-15-4-3-5-17(12-15)19(23-8-10-27-11-9-23)14-22-29(25,26)20-7-6-18(28-20)13-21-16(2)24/h3-7,12,19,22H,8-11,13-14H2,1-2H3,(H,21,24)
InChIKeyCUCHNPWTBFTBPO-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[5-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]sulfamoyl]thiophen-2-yl]methyl]acetamide with MolForge

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Related Compounds

4-acetyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 55682159
2-bromo-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 75875408
2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 75748883
N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-methylsulfonylpropanamide
CID 110623787
N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 55682115
(2R)-2-amino-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]propanamide
CID 119849688
3,5-dimethyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1H-pyrazole-4-sulfonamide
CID 112506527
N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 39792074
2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide;hydrochloride
CID 154856473
1-(4-fluorophenyl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]methanesulfonamide
CID 75748881
N-[[5-[(4-methyl-3-morpholin-4-ylsulfonylphenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 16553878
N-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]thiophene-2-sulfonamide
CID 52507194

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]sulfamoyl]thiophen-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]sulfamoyl]thiophen-2-yl]methyl]acetamide (CID 55681813) is N-[[5-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]sulfamoyl]thiophen-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]sulfamoyl]thiophen-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]sulfamoyl]thiophen-2-yl]methyl]acetamide is CC(=O)NCc1ccc(S(=O)(=O)NCC(c2cccc(C)c2)N2CCOCC2)s1.
What is the InChIKey of N-[[5-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]sulfamoyl]thiophen-2-yl]methyl]acetamide?
The InChIKey is CUCHNPWTBFTBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4S2/c1-15-4-3-5-17(12-15)19(23-8-10-27-11-9-23)14-22-29(25,26)20-7-6-18(28-20)13-21-16(2)24/h3-7,12,19,22H,8-11,13-14H2,1-2H3,(H,21,24).
What are the key properties of N-[[5-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]sulfamoyl]thiophen-2-yl]methyl]acetamide?
N-[[5-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]sulfamoyl]thiophen-2-yl]methyl]acetamide has a molecular weight of 437.59 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]sulfamoyl]thiophen-2-yl]methyl]acetamide is sourced from PubChem (CID 55681813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).