2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

C21H33N5O5S — CID 31998459

IUPAC2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCN(C)C(=O)CN1CCCN(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1
InChIInChI=1S/C21H33N5O5S/c1-23(2)21(28)17-25-9-3-8-24(10-11-25)16-20(27)22-18-4-6-19(7-5-18)32(29,30)26-12-14-31-15-13-26/h4-7H,3,8-17H2,1-2H3,(H,22,27)
InChIKeySEOOMGFOESCCDI-UHFFFAOYSA-N
MW467.59 g/mol
LogP-0.26
Rot. Bonds7

About 2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 31998459) has the molecular formula C21H33N5O5S and a molecular weight of 467.59 g/mol. Its IUPAC name is 2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID31998459
Molecular FormulaC21H33N5O5S
Molecular Weight467.59 g/mol
Exact Mass467.22
IUPAC Name2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCN(C)C(=O)CN1CCCN(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1
InChIInChI=1S/C21H33N5O5S/c1-23(2)21(28)17-25-9-3-8-24(10-11-25)16-20(27)22-18-4-6-19(7-5-18)32(29,30)26-12-14-31-15-13-26/h4-7H,3,8-17H2,1-2H3,(H,22,27)
InChIKeySEOOMGFOESCCDI-UHFFFAOYSA-N
XLogP-0.26
TPSA102.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.59
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide with MolForge

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Related Compounds

2-(4-methylpiperidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 1152713
2-(3,5-dimethylpiperidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 4278623
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-morpholin-4-ylacetamide
CID 1071220
N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 832676
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4257412
N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 832695
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 55845745
N,N'-bis(4-morpholin-4-ylsulfonylphenyl)decanediamide
CID 17080112
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 108806474
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 8899749
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 11931060
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 2685661

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (CID 31998459) is 2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is CN(C)C(=O)CN1CCCN(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1.
What is the InChIKey of 2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is SEOOMGFOESCCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O5S/c1-23(2)21(28)17-25-9-3-8-24(10-11-25)16-20(27)22-18-4-6-19(7-5-18)32(29,30)26-12-14-31-15-13-26/h4-7H,3,8-17H2,1-2H3,(H,22,27).
What are the key properties of 2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 467.59 g/mol, XLogP of -0.26, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 31998459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).