2-[benzenesulfonyl(benzyl)amino]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide

C30H28N2O5S — CID 133165070

IUPAC2-[benzenesulfonyl(benzyl)amino]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C30H28N2O5S/c1-22(24-16-17-28-29(20-24)37-19-18-36-28)31-30(33)26-14-8-9-15-27(26)32(21-23-10-4-2-5-11-23)38(34,35)25-12-6-3-7-13-25/h2-17,20,22H,18-19,21H2,1H3,(H,31,33)
InChIKeyMENXNCNVLNSLPU-UHFFFAOYSA-N
MW528.63 g/mol
LogP5.34
Rot. Bonds8

About 2-[benzenesulfonyl(benzyl)amino]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide

2-[benzenesulfonyl(benzyl)amino]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide (PubChem CID 133165070) has the molecular formula C30H28N2O5S and a molecular weight of 528.63 g/mol. Its IUPAC name is 2-[benzenesulfonyl(benzyl)amino]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(benzyl)amino]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide
PubChem CID133165070
Molecular FormulaC30H28N2O5S
Molecular Weight528.63 g/mol
Exact Mass528.17
IUPAC Name2-[benzenesulfonyl(benzyl)amino]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C30H28N2O5S/c1-22(24-16-17-28-29(20-24)37-19-18-36-28)31-30(33)26-14-8-9-15-27(26)32(21-23-10-4-2-5-11-23)38(34,35)25-12-6-3-7-13-25/h2-17,20,22H,18-19,21H2,1H3,(H,31,33)
InChIKeyMENXNCNVLNSLPU-UHFFFAOYSA-N
XLogP5.34
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.63
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[benzenesulfonyl(benzyl)amino]-N-[(1R)-1-(4-ethylphenyl)ethyl]benzamide
CID 100632108
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 92675422
2-[benzenesulfonyl(benzyl)amino]-N-propan-2-ylbenzamide
CID 1203953
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 133165110
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
CID 133164973
2-[benzenesulfonyl(benzyl)amino]-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]benzamide
CID 94015821
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
CID 133167536
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenylmethoxybenzamide
CID 9166024
2-[[2-[benzyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 126116430
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 94862659
2-[benzenesulfonyl(benzyl)amino]-N-tert-butylbenzamide
CID 1129961
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(N-methylanilino)benzamide
CID 71894359

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(benzyl)amino]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide?
The IUPAC name of 2-[benzenesulfonyl(benzyl)amino]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide (CID 133165070) is 2-[benzenesulfonyl(benzyl)amino]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide.
What is the SMILES notation for 2-[benzenesulfonyl(benzyl)amino]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide?
The canonical SMILES for 2-[benzenesulfonyl(benzyl)amino]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide is CC(NC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-[benzenesulfonyl(benzyl)amino]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide?
The InChIKey is MENXNCNVLNSLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O5S/c1-22(24-16-17-28-29(20-24)37-19-18-36-28)31-30(33)26-14-8-9-15-27(26)32(21-23-10-4-2-5-11-23)38(34,35)25-12-6-3-7-13-25/h2-17,20,22H,18-19,21H2,1H3,(H,31,33).
What are the key properties of 2-[benzenesulfonyl(benzyl)amino]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide?
2-[benzenesulfonyl(benzyl)amino]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide has a molecular weight of 528.63 g/mol, XLogP of 5.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(benzyl)amino]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide is sourced from PubChem (CID 133165070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).