3-methyl-N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]-1-benzofuran-2-carboxamide

C25H30N4O5S — CID 4968359

IUPAC3-methyl-N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCN(C)CC2)oc2ccccc12
InChIInChI=1S/C25H30N4O5S/c1-18-20-5-3-4-6-23(20)34-24(18)25(30)26-21-17-19(35(31,32)29-13-15-33-16-14-29)7-8-22(21)28-11-9-27(2)10-12-28/h3-8,17H,9-16H2,1-2H3,(H,26,30)
InChIKeyFFZHZJUHRZQDPD-UHFFFAOYSA-N
MW498.61 g/mol
LogP2.77
Rot. Bonds5

About 3-methyl-N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]-1-benzofuran-2-carboxamide

3-methyl-N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]-1-benzofuran-2-carboxamide (PubChem CID 4968359) has the molecular formula C25H30N4O5S and a molecular weight of 498.61 g/mol. Its IUPAC name is 3-methyl-N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]-1-benzofuran-2-carboxamide
PubChem CID4968359
Molecular FormulaC25H30N4O5S
Molecular Weight498.61 g/mol
Exact Mass498.19
IUPAC Name3-methyl-N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCN(C)CC2)oc2ccccc12
InChIInChI=1S/C25H30N4O5S/c1-18-20-5-3-4-6-23(20)34-24(18)25(30)26-21-17-19(35(31,32)29-13-15-33-16-14-29)7-8-22(21)28-11-9-27(2)10-12-28/h3-8,17H,9-16H2,1-2H3,(H,26,30)
InChIKeyFFZHZJUHRZQDPD-UHFFFAOYSA-N
XLogP2.77
TPSA95.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.61
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 2373627
2,5-dimethyl-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)thiophene-3-carboxamide
CID 31010638
3-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-1,2-oxazole-5-carboxamide
CID 43031283
2-(3-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]acetamide
CID 4850293
5-chloro-3,6-dimethyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide
CID 121238583
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 2469347
N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-3-phenylthiophene-2-carboxamide
CID 4877934
5-methyl-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxamide
CID 4849644
2,4,5-trimethoxy-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 4857247
N-[2-(4-methylpiperazin-1-yl)phenyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 55359411
N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)butanamide
CID 4296426
N-(2,3-dimethylphenyl)-3-methyl-5-piperidin-1-ylsulfonyl-1-benzofuran-2-carboxamide
CID 3530969

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]-1-benzofuran-2-carboxamide (CID 4968359) is 3-methyl-N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCN(C)CC2)oc2ccccc12.
What is the InChIKey of 3-methyl-N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]-1-benzofuran-2-carboxamide?
The InChIKey is FFZHZJUHRZQDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O5S/c1-18-20-5-3-4-6-23(20)34-24(18)25(30)26-21-17-19(35(31,32)29-13-15-33-16-14-29)7-8-22(21)28-11-9-27(2)10-12-28/h3-8,17H,9-16H2,1-2H3,(H,26,30).
What are the key properties of 3-methyl-N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]-1-benzofuran-2-carboxamide?
3-methyl-N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]-1-benzofuran-2-carboxamide has a molecular weight of 498.61 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 4968359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).