N-(4-tert-butylphenyl)-2-morpholin-4-ylsulfonylbenzamide

C21H26N2O4S — CID 39888559

IUPACN-(4-tert-butylphenyl)-2-morpholin-4-ylsulfonylbenzamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H26N2O4S/c1-21(2,3)16-8-10-17(11-9-16)22-20(24)18-6-4-5-7-19(18)28(25,26)23-12-14-27-15-13-23/h4-11H,12-15H2,1-3H3,(H,22,24)
InChIKeyUEPMURMZVVSVIG-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.26
Rot. Bonds4

About N-(4-tert-butylphenyl)-2-morpholin-4-ylsulfonylbenzamide

N-(4-tert-butylphenyl)-2-morpholin-4-ylsulfonylbenzamide (PubChem CID 39888559) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-morpholin-4-ylsulfonylbenzamide
PubChem CID39888559
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC NameN-(4-tert-butylphenyl)-2-morpholin-4-ylsulfonylbenzamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H26N2O4S/c1-21(2,3)16-8-10-17(11-9-16)22-20(24)18-6-4-5-7-19(18)28(25,26)23-12-14-27-15-13-23/h4-11H,12-15H2,1-3H3,(H,22,24)
InChIKeyUEPMURMZVVSVIG-UHFFFAOYSA-N
XLogP3.26
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-iodophenyl)-2-morpholin-4-ylsulfonylbenzamide
CID 39892592
methyl 4-[(2-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 39888374
N-(4-butan-2-ylphenyl)-2-morpholin-4-ylsulfonylbenzamide
CID 43072275
N-[4-(2-methoxyphenoxy)phenyl]-2-morpholin-4-ylsulfonylbenzamide
CID 31976551
N-(2-methylphenyl)-2-morpholin-4-ylsulfonylbenzamide
CID 55623858
N-(3-amino-4-methoxyphenyl)-2-morpholin-4-ylsulfonylbenzamide
CID 119419992
2-morpholin-4-ylsulfonylbenzohydrazide
CID 71258107
N-(4-tert-butylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 8779876
N-dibenzofuran-3-yl-2-morpholin-4-ylsulfonylbenzamide
CID 60553696
2-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 2290469
N'-(4-bromobenzoyl)-2-morpholin-4-ylsulfonylbenzohydrazide
CID 39878344
N-(5-fluoro-2-pyridinyl)-2-morpholin-4-ylsulfonylbenzamide
CID 52871230

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-morpholin-4-ylsulfonylbenzamide (CID 39888559) is N-(4-tert-butylphenyl)-2-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-morpholin-4-ylsulfonylbenzamide is CC(C)(C)c1ccc(NC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-morpholin-4-ylsulfonylbenzamide?
The InChIKey is UEPMURMZVVSVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-21(2,3)16-8-10-17(11-9-16)22-20(24)18-6-4-5-7-19(18)28(25,26)23-12-14-27-15-13-23/h4-11H,12-15H2,1-3H3,(H,22,24).
What are the key properties of N-(4-tert-butylphenyl)-2-morpholin-4-ylsulfonylbenzamide?
N-(4-tert-butylphenyl)-2-morpholin-4-ylsulfonylbenzamide has a molecular weight of 402.52 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 39888559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).