N-(furan-2-ylmethyl)-N-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-5-phenylbenzamide

C24H27N3O4S — CID 26144756

IUPACN-(furan-2-ylmethyl)-N-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-5-phenylbenzamide
SMILESCN1CCN(S(=O)(=O)c2cc(C(=O)N(C)Cc3ccco3)cc(-c3ccccc3)c2)CC1
InChIInChI=1S/C24H27N3O4S/c1-25-10-12-27(13-11-25)32(29,30)23-16-20(19-7-4-3-5-8-19)15-21(17-23)24(28)26(2)18-22-9-6-14-31-22/h3-9,14-17H,10-13,18H2,1-2H3
InChIKeyNBCZGBAQYFFKEY-UHFFFAOYSA-N
MW453.56 g/mol
LogP3.15
Rot. Bonds6

About N-(furan-2-ylmethyl)-N-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-5-phenylbenzamide

N-(furan-2-ylmethyl)-N-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-5-phenylbenzamide (PubChem CID 26144756) has the molecular formula C24H27N3O4S and a molecular weight of 453.56 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-5-phenylbenzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-5-phenylbenzamide
PubChem CID26144756
Molecular FormulaC24H27N3O4S
Molecular Weight453.56 g/mol
Exact Mass453.17
IUPAC NameN-(furan-2-ylmethyl)-N-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-5-phenylbenzamide
SMILESCN1CCN(S(=O)(=O)c2cc(C(=O)N(C)Cc3ccco3)cc(-c3ccccc3)c2)CC1
InChIInChI=1S/C24H27N3O4S/c1-25-10-12-27(13-11-25)32(29,30)23-16-20(19-7-4-3-5-8-19)15-21(17-23)24(28)26(2)18-22-9-6-14-31-22/h3-9,14-17H,10-13,18H2,1-2H3
InChIKeyNBCZGBAQYFFKEY-UHFFFAOYSA-N
XLogP3.15
TPSA74.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 27739609
3-(dimethylsulfamoyl)-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 4824191
3-(4-methylpiperazin-1-yl)sulfonyl-5-pyridin-3-ylbenzoic acid
CID 56861496
N-(furan-2-ylmethyl)-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 18083462
5-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-2-methoxy-N-methylbenzamide
CID 18109821
3-(azepan-1-ylsulfonyl)-N-benzyl-N-(furan-2-ylmethyl)benzamide
CID 37429700
N-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-phenylbenzamide
CID 50875377
N-(furan-2-ylmethyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 27739638
N-(furan-2-ylmethyl)-N-methyl-9-oxofluorene-2-carboxamide
CID 24615704
2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 78819072
N-benzyl-3-(4-benzylpiperazin-1-yl)sulfonyl-N-methylbenzamide
CID 39230100
3-(6-methoxy-3-pyridinyl)-5-(4-methylpiperazin-1-yl)sulfonylbenzoic acid
CID 56877298

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-5-phenylbenzamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-5-phenylbenzamide (CID 26144756) is N-(furan-2-ylmethyl)-N-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-5-phenylbenzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-5-phenylbenzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-5-phenylbenzamide is CN1CCN(S(=O)(=O)c2cc(C(=O)N(C)Cc3ccco3)cc(-c3ccccc3)c2)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-5-phenylbenzamide?
The InChIKey is NBCZGBAQYFFKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4S/c1-25-10-12-27(13-11-25)32(29,30)23-16-20(19-7-4-3-5-8-19)15-21(17-23)24(28)26(2)18-22-9-6-14-31-22/h3-9,14-17H,10-13,18H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-N-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-5-phenylbenzamide?
N-(furan-2-ylmethyl)-N-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-5-phenylbenzamide has a molecular weight of 453.56 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-5-phenylbenzamide is sourced from PubChem (CID 26144756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).