4-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]-3-morpholin-4-ylsulfonylbenzamide

C21H34N4O5S — CID 55656696

IUPAC4-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)NCCCCN2CCN(C)CC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H34N4O5S/c1-23-9-11-24(12-10-23)8-4-3-7-22-21(26)18-5-6-19(29-2)20(17-18)31(27,28)25-13-15-30-16-14-25/h5-6,17H,3-4,7-16H2,1-2H3,(H,22,26)
InChIKeyOYMZRCUFHJHTKF-UHFFFAOYSA-N
MW454.59 g/mol
LogP0.47
Rot. Bonds9

About 4-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]-3-morpholin-4-ylsulfonylbenzamide

4-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 55656696) has the molecular formula C21H34N4O5S and a molecular weight of 454.59 g/mol. Its IUPAC name is 4-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]-3-morpholin-4-ylsulfonylbenzamide
PubChem CID55656696
Molecular FormulaC21H34N4O5S
Molecular Weight454.59 g/mol
Exact Mass454.22
IUPAC Name4-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)NCCCCN2CCN(C)CC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H34N4O5S/c1-23-9-11-24(12-10-23)8-4-3-7-22-21(26)18-5-6-19(29-2)20(17-18)31(27,28)25-13-15-30-16-14-25/h5-6,17H,3-4,7-16H2,1-2H3,(H,22,26)
InChIKeyOYMZRCUFHJHTKF-UHFFFAOYSA-N
XLogP0.47
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.59
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonylbenzamide
CID 18892275
N-(3-ethoxypropyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 18892317
N-[3-(4-ethylpiperazin-1-yl)propyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55660270
3-(diethylsulfamoyl)-4-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
CID 55656851
N-[2-(4-chlorophenyl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 2161742
4-methoxy-N-pentyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 40742279
N-[3-(butan-2-ylamino)-3-oxopropyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 55948159
4-chloro-3-(4-methylpiperazin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide
CID 99969256
N-(3-hydroxypropyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
CID 18892154
4-methoxy-3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)benzamide
CID 18892278
4-methoxy-N-(7-methyloctyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 36618425
4-methoxy-N-[[3-(methylcarbamoyl)phenyl]methyl]-3-morpholin-4-ylsulfonylbenzamide
CID 30858798

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 4-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]-3-morpholin-4-ylsulfonylbenzamide (CID 55656696) is 4-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 4-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 4-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]-3-morpholin-4-ylsulfonylbenzamide is COc1ccc(C(=O)NCCCCN2CCN(C)CC2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is OYMZRCUFHJHTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O5S/c1-23-9-11-24(12-10-23)8-4-3-7-22-21(26)18-5-6-19(29-2)20(17-18)31(27,28)25-13-15-30-16-14-25/h5-6,17H,3-4,7-16H2,1-2H3,(H,22,26).
What are the key properties of 4-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]-3-morpholin-4-ylsulfonylbenzamide?
4-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 454.59 g/mol, XLogP of 0.47, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 55656696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).