2-methoxy-N-[2-methyl-3-oxo-6-(2-piperidin-1-ylethylamino)-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl]benzenesulfonamide

C25H29N5O4S — CID 155546620

IUPAC2-methoxy-N-[2-methyl-3-oxo-6-(2-piperidin-1-ylethylamino)-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl]benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1ccc2c3c(cc(NCCN4CCCCC4)nc13)C(=O)N2C
InChIInChI=1S/C25H29N5O4S/c1-29-19-11-10-18(28-35(32,33)21-9-5-4-8-20(21)34-2)24-23(19)17(25(29)31)16-22(27-24)26-12-15-30-13-6-3-7-14-30/h4-5,8-11,16,28H,3,6-7,12-15H2,1-2H3,(H,26,27)
InChIKeyFMNUVSSDKDPXJZ-UHFFFAOYSA-N
MW495.61 g/mol
LogP3.53
Rot. Bonds8

About 2-methoxy-N-[2-methyl-3-oxo-6-(2-piperidin-1-ylethylamino)-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl]benzenesulfonamide

2-methoxy-N-[2-methyl-3-oxo-6-(2-piperidin-1-ylethylamino)-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl]benzenesulfonamide (PubChem CID 155546620) has the molecular formula C25H29N5O4S and a molecular weight of 495.61 g/mol. Its IUPAC name is 2-methoxy-N-[2-methyl-3-oxo-6-(2-piperidin-1-ylethylamino)-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[2-methyl-3-oxo-6-(2-piperidin-1-ylethylamino)-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl]benzenesulfonamide
PubChem CID155546620
Molecular FormulaC25H29N5O4S
Molecular Weight495.61 g/mol
Exact Mass495.19
IUPAC Name2-methoxy-N-[2-methyl-3-oxo-6-(2-piperidin-1-ylethylamino)-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl]benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1ccc2c3c(cc(NCCN4CCCCC4)nc13)C(=O)N2C
InChIInChI=1S/C25H29N5O4S/c1-29-19-11-10-18(28-35(32,33)21-9-5-4-8-20(21)34-2)24-23(19)17(25(29)31)16-22(27-24)26-12-15-30-13-6-3-7-14-30/h4-5,8-11,16,28H,3,6-7,12-15H2,1-2H3,(H,26,27)
InChIKeyFMNUVSSDKDPXJZ-UHFFFAOYSA-N
XLogP3.53
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.61
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-methoxy-N-[2-methyl-3-oxo-6-(2-piperidin-1-ylethylamino)-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl]benzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-methyl-3-oxo-6-(2-piperidin-1-ylethylamino)-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl]benzenesulfonamide?
The IUPAC name of 2-methoxy-N-[2-methyl-3-oxo-6-(2-piperidin-1-ylethylamino)-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl]benzenesulfonamide (CID 155546620) is 2-methoxy-N-[2-methyl-3-oxo-6-(2-piperidin-1-ylethylamino)-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-[2-methyl-3-oxo-6-(2-piperidin-1-ylethylamino)-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-N-[2-methyl-3-oxo-6-(2-piperidin-1-ylethylamino)-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl]benzenesulfonamide is COc1ccccc1S(=O)(=O)Nc1ccc2c3c(cc(NCCN4CCCCC4)nc13)C(=O)N2C.
What is the InChIKey of 2-methoxy-N-[2-methyl-3-oxo-6-(2-piperidin-1-ylethylamino)-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl]benzenesulfonamide?
The InChIKey is FMNUVSSDKDPXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O4S/c1-29-19-11-10-18(28-35(32,33)21-9-5-4-8-20(21)34-2)24-23(19)17(25(29)31)16-22(27-24)26-12-15-30-13-6-3-7-14-30/h4-5,8-11,16,28H,3,6-7,12-15H2,1-2H3,(H,26,27).
What are the key properties of 2-methoxy-N-[2-methyl-3-oxo-6-(2-piperidin-1-ylethylamino)-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl]benzenesulfonamide?
2-methoxy-N-[2-methyl-3-oxo-6-(2-piperidin-1-ylethylamino)-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl]benzenesulfonamide has a molecular weight of 495.61 g/mol, XLogP of 3.53, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-methyl-3-oxo-6-(2-piperidin-1-ylethylamino)-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl]benzenesulfonamide is sourced from PubChem (CID 155546620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).