3-(benzenesulfonamido)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide

C26H30N2O4S — CID 133186488

IUPAC3-(benzenesulfonamido)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide
SMILESCOc1cc(C)c(C(C)NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1C(C)C
InChIInChI=1S/C26H30N2O4S/c1-17(2)23-16-24(18(3)14-25(23)32-5)19(4)27-26(29)20-10-9-11-21(15-20)28-33(30,31)22-12-7-6-8-13-22/h6-17,19,28H,1-5H3,(H,27,29)
InChIKeyZGGHVEYDRBPPRH-UHFFFAOYSA-N
MW466.60 g/mol
LogP5.42
Rot. Bonds8

About 3-(benzenesulfonamido)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide

3-(benzenesulfonamido)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide (PubChem CID 133186488) has the molecular formula C26H30N2O4S and a molecular weight of 466.60 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide
PubChem CID133186488
Molecular FormulaC26H30N2O4S
Molecular Weight466.60 g/mol
Exact Mass466.19
IUPAC Name3-(benzenesulfonamido)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide
SMILESCOc1cc(C)c(C(C)NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1C(C)C
InChIInChI=1S/C26H30N2O4S/c1-17(2)23-16-24(18(3)14-25(23)32-5)19(4)27-26(29)20-10-9-11-21(15-20)28-33(30,31)22-12-7-6-8-13-22/h6-17,19,28H,1-5H3,(H,27,29)
InChIKeyZGGHVEYDRBPPRH-UHFFFAOYSA-N
XLogP5.42
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.60
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-(phenylsulfamoyl)benzamide
CID 133186415
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide
CID 133186104
3-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 132611720
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 133186498
4-methoxy-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-methylbenzamide
CID 133217534
N-[1-(3,4-dimethylphenyl)ethyl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 132671557
3-[(4-methylphenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 19062382
N-[1-(2-methylphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 132663234
3-(benzenesulfonamido)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 9409977
3-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 132664714
3-(benzenesulfonamido)-4-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]benzamide
CID 133217988
2-[[3-(benzenesulfonamido)benzoyl]amino]-3-methylpentanoic acid
CID 119211489

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide?
The IUPAC name of 3-(benzenesulfonamido)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide (CID 133186488) is 3-(benzenesulfonamido)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide is COc1cc(C)c(C(C)NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1C(C)C.
What is the InChIKey of 3-(benzenesulfonamido)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide?
The InChIKey is ZGGHVEYDRBPPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4S/c1-17(2)23-16-24(18(3)14-25(23)32-5)19(4)27-26(29)20-10-9-11-21(15-20)28-33(30,31)22-12-7-6-8-13-22/h6-17,19,28H,1-5H3,(H,27,29).
What are the key properties of 3-(benzenesulfonamido)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide?
3-(benzenesulfonamido)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide has a molecular weight of 466.60 g/mol, XLogP of 5.42, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide is sourced from PubChem (CID 133186488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).