2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)acetamide

C25H30N4O5S — CID 26291153

IUPAC2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc3c(c2)nc2n3CCCCC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C25H30N4O5S/c1-33-22-9-6-18(15-23(22)35(31,32)28-11-13-34-14-12-28)16-25(30)26-19-7-8-21-20(17-19)27-24-5-3-2-4-10-29(21)24/h6-9,15,17H,2-5,10-14,16H2,1H3,(H,26,30)
InChIKeyWSFKJTCTCAVCER-UHFFFAOYSA-N
MW498.61 g/mol
LogP2.97
Rot. Bonds6

About 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)acetamide

2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)acetamide (PubChem CID 26291153) has the molecular formula C25H30N4O5S and a molecular weight of 498.61 g/mol. Its IUPAC name is 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)acetamide
PubChem CID26291153
Molecular FormulaC25H30N4O5S
Molecular Weight498.61 g/mol
Exact Mass498.19
IUPAC Name2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc3c(c2)nc2n3CCCCC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C25H30N4O5S/c1-33-22-9-6-18(15-23(22)35(31,32)28-11-13-34-14-12-28)16-25(30)26-19-7-8-21-20(17-19)27-24-5-3-2-4-10-29(21)24/h6-9,15,17H,2-5,10-14,16H2,1H3,(H,26,30)
InChIKeyWSFKJTCTCAVCER-UHFFFAOYSA-N
XLogP2.97
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.61
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dichlorophenyl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 25438234
N-(3,4-dimethylphenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 26593882
N-(3-bromophenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 29169210
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 30872900
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 30860230
2-(methylamino)-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)acetamide;hydrochloride
CID 120703565
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-(methylamino)butanamide
CID 119677486
3-cyclohexyl-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 43008044
N-(2-amino-2-methylpropyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 119630260
4-(aminomethyl)-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)oxane-4-carboxamide
CID 120937859
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ium-4-ylacetamide
CID 8018316
2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-N-(4-methoxyphenyl)acetamide
CID 4289049

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)acetamide?
The IUPAC name of 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)acetamide (CID 26291153) is 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)acetamide.
What is the SMILES notation for 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)acetamide?
The canonical SMILES for 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)acetamide is COc1ccc(CC(=O)Nc2ccc3c(c2)nc2n3CCCCC2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)acetamide?
The InChIKey is WSFKJTCTCAVCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O5S/c1-33-22-9-6-18(15-23(22)35(31,32)28-11-13-34-14-12-28)16-25(30)26-19-7-8-21-20(17-19)27-24-5-3-2-4-10-29(21)24/h6-9,15,17H,2-5,10-14,16H2,1H3,(H,26,30).
What are the key properties of 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)acetamide?
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)acetamide has a molecular weight of 498.61 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)acetamide is sourced from PubChem (CID 26291153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).