N-tert-butyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]benzamide

C22H27N3O5S — CID 100679235

IUPACN-tert-butyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]benzamide
SMILESCC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C22H27N3O5S/c1-22(2,3)24-21(27)18-6-4-5-7-19(18)23-20(26)16-8-10-17(11-9-16)31(28,29)25-12-14-30-15-13-25/h4-11H,12-15H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyRRCGQGDCFPVHHC-UHFFFAOYSA-N
MW445.54 g/mol
LogP2.49
Rot. Bonds5

About N-tert-butyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]benzamide

N-tert-butyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]benzamide (PubChem CID 100679235) has the molecular formula C22H27N3O5S and a molecular weight of 445.54 g/mol. Its IUPAC name is N-tert-butyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]benzamide
PubChem CID100679235
Molecular FormulaC22H27N3O5S
Molecular Weight445.54 g/mol
Exact Mass445.17
IUPAC NameN-tert-butyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]benzamide
SMILESCC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C22H27N3O5S/c1-22(2,3)24-21(27)18-6-4-5-7-19(18)23-20(26)16-8-10-17(11-9-16)31(28,29)25-12-14-30-15-13-25/h4-11H,12-15H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyRRCGQGDCFPVHHC-UHFFFAOYSA-N
XLogP2.49
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-2-[(4-morpholin-4-ylbenzoyl)amino]benzamide
CID 21173543
N-(2-ethylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 55613517
N-[(2R)-butan-2-yl]-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]benzamide
CID 26706280
4-morpholin-4-ylsulfonyl-N-(2-propan-2-ylphenyl)benzamide
CID 7958233
N-(2-ethoxyphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 650265
4-morpholin-4-ylsulfonyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide
CID 16609512
4-methyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 26520994
N-(2-methylphenyl)-2-morpholin-4-ylsulfonylbenzamide
CID 55623858
N-[2-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]phenyl]benzamide
CID 36860042
2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]-N-propylbenzamide
CID 31287521
N-(4-acetylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1152899
N-(4-fluorophenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1157332

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]benzamide?
The IUPAC name of N-tert-butyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]benzamide (CID 100679235) is N-tert-butyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]benzamide.
What is the SMILES notation for N-tert-butyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]benzamide?
The canonical SMILES for N-tert-butyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]benzamide is CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-tert-butyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]benzamide?
The InChIKey is RRCGQGDCFPVHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5S/c1-22(2,3)24-21(27)18-6-4-5-7-19(18)23-20(26)16-8-10-17(11-9-16)31(28,29)25-12-14-30-15-13-25/h4-11H,12-15H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of N-tert-butyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]benzamide?
N-tert-butyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]benzamide has a molecular weight of 445.54 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]benzamide is sourced from PubChem (CID 100679235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).