4-ethyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-morpholin-4-ylsulfonylbenzamide

C25H34N4O4S — CID 43058910

IUPAC4-ethyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESCCc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C25H34N4O4S/c1-4-20-5-6-21(18-24(20)34(31,32)29-13-15-33-16-14-29)25(30)26-23-8-7-22(17-19(23)2)28-11-9-27(3)10-12-28/h5-8,17-18H,4,9-16H2,1-3H3,(H,26,30)
InChIKeyJUWGPXYNWWSGDH-UHFFFAOYSA-N
MW486.64 g/mol
LogP2.58
Rot. Bonds6

About 4-ethyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-morpholin-4-ylsulfonylbenzamide

4-ethyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 43058910) has the molecular formula C25H34N4O4S and a molecular weight of 486.64 g/mol. Its IUPAC name is 4-ethyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-ethyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-morpholin-4-ylsulfonylbenzamide
PubChem CID43058910
Molecular FormulaC25H34N4O4S
Molecular Weight486.64 g/mol
Exact Mass486.23
IUPAC Name4-ethyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESCCc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C25H34N4O4S/c1-4-20-5-6-21(18-24(20)34(31,32)29-13-15-33-16-14-29)25(30)26-23-8-7-22(17-19(23)2)28-11-9-27(3)10-12-28/h5-8,17-18H,4,9-16H2,1-3H3,(H,26,30)
InChIKeyJUWGPXYNWWSGDH-UHFFFAOYSA-N
XLogP2.58
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.64
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 30840501
N-(2-chloro-4-methylphenyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 46584228
N-(5-chloro-2-methylphenyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 46581514
N-[2-(difluoromethylsulfanyl)phenyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 30840402
4-ethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 43058965
methyl 4-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 30839746
4-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]-N,3-dimethylbenzamide
CID 46465140
4-ethyl-N-(6-methyl-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide
CID 46581324
3,4-diethoxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 36559277
N-butan-2-yl-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 46584081
[4-(4-chlorophenyl)piperazin-1-yl]-(4-ethyl-3-morpholin-4-ylsulfonylphenyl)methanone
CID 55970681
N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-9-oxofluorene-2-carboxamide
CID 24624504

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 4-ethyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-morpholin-4-ylsulfonylbenzamide (CID 43058910) is 4-ethyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 4-ethyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 4-ethyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-morpholin-4-ylsulfonylbenzamide is CCc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-ethyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is JUWGPXYNWWSGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O4S/c1-4-20-5-6-21(18-24(20)34(31,32)29-13-15-33-16-14-29)25(30)26-23-8-7-22(17-19(23)2)28-11-9-27(3)10-12-28/h5-8,17-18H,4,9-16H2,1-3H3,(H,26,30).
What are the key properties of 4-ethyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-morpholin-4-ylsulfonylbenzamide?
4-ethyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 486.64 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 43058910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).