N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide

C22H30N2O4S2 — CID 24980169

IUPACN-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
SMILESCC(C)Cc1ccc(C(C)NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1
InChIInChI=1S/C22H30N2O4S2/c1-16(2)14-18-4-6-19(7-5-18)17(3)23-21(25)15-20-8-9-22(29-20)30(26,27)24-10-12-28-13-11-24/h4-9,16-17H,10-15H2,1-3H3,(H,23,25)
InChIKeyDAHXZVLCFPQMBC-UHFFFAOYSA-N
MW450.63 g/mol
LogP3.39
Rot. Bonds8

About N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide

N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide (PubChem CID 24980169) has the molecular formula C22H30N2O4S2 and a molecular weight of 450.63 g/mol. Its IUPAC name is N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
PubChem CID24980169
Molecular FormulaC22H30N2O4S2
Molecular Weight450.63 g/mol
Exact Mass450.16
IUPAC NameN-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
SMILESCC(C)Cc1ccc(C(C)NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1
InChIInChI=1S/C22H30N2O4S2/c1-16(2)14-18-4-6-19(7-5-18)17(3)23-21(25)15-20-8-9-22(29-20)30(26,27)24-10-12-28-13-11-24/h4-9,16-17H,10-15H2,1-3H3,(H,23,25)
InChIKeyDAHXZVLCFPQMBC-UHFFFAOYSA-N
XLogP3.39
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.63
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-[[3-phenyl-2-(thiophen-2-ylsulfonylamino)propanoyl]amino]acetate
CID 3243538
4-(dimethylsulfamoyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 24980274
N-[2-(4-Methylphenyl)ethyl]-1-(thiophene-2-sulfonyl)piperidine-3-carboxamide
CID 4089362
N-[(4-methylphenyl)methyl]-4-[(thiophene-2-sulfonamido)methyl]cyclohexane-1-carboxamide
CID 5322912
N-benzyl-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 5322919
N-butyloxycarbonyl-3-[4-(N-benzyl-N-ethylcarbamoylmethyl)phenyl]-5-iso-butylthiophene-2-sulfonamide
CID 10370806
[2-(Benzylamino)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
CID 2355400
[2-[(4-Methylphenyl)methylamino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
CID 2435701
4-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide
CID 2525856
N-methyl-3-(4-morpholin-4-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 2561079
Ethyl ({[2-(2-thienylsulfonyl)-1,2,3,4-tetrahydro-3-isoquinolinyl]carbonyl}amino)acetate
CID 2937314
[2-Oxo-2-(2-phenylethylamino)ethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
CID 4373090

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The IUPAC name of N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide (CID 24980169) is N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide.
What is the SMILES notation for N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The canonical SMILES for N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide is CC(C)Cc1ccc(C(C)NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1.
What is the InChIKey of N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The InChIKey is DAHXZVLCFPQMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S2/c1-16(2)14-18-4-6-19(7-5-18)17(3)23-21(25)15-20-8-9-22(29-20)30(26,27)24-10-12-28-13-11-24/h4-9,16-17H,10-15H2,1-3H3,(H,23,25).
What are the key properties of N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide has a molecular weight of 450.63 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide is sourced from PubChem (CID 24980169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).