N-(4-tert-butylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide

C22H28N2O4S — CID 8779876

IUPACN-(4-tert-butylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C22H28N2O4S/c1-16-5-6-17(15-20(16)29(26,27)24-11-13-28-14-12-24)21(25)23-19-9-7-18(8-10-19)22(2,3)4/h5-10,15H,11-14H2,1-4H3,(H,23,25)
InChIKeyBZSWVDWWTNQTHH-UHFFFAOYSA-N
MW416.54 g/mol
LogP3.57
Rot. Bonds4

About N-(4-tert-butylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide

N-(4-tert-butylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 8779876) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
PubChem CID8779876
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC NameN-(4-tert-butylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C22H28N2O4S/c1-16-5-6-17(15-20(16)29(26,27)24-11-13-28-14-12-24)21(25)23-19-9-7-18(8-10-19)22(2,3)4/h5-10,15H,11-14H2,1-4H3,(H,23,25)
InChIKeyBZSWVDWWTNQTHH-UHFFFAOYSA-N
XLogP3.57
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)naphthalene-2-carboxamide
CID 7929134
N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 38009333
3-benzamido-4-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 55631501
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 25434729
4-chloro-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 26412442
4-fluoro-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2684216
N-(2-hydroxyphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 23904636
4-bromo-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 24637915
N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 5084540
2-(diethylamino)ethyl 4-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 4153056
methyl 4-methyl-3-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 26198227
4-methoxy-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 2664930

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(4-tert-butylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide (CID 8779876) is N-(4-tert-butylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(4-tert-butylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide is Cc1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(4-tert-butylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is BZSWVDWWTNQTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-16-5-6-17(15-20(16)29(26,27)24-11-13-28-14-12-24)21(25)23-19-9-7-18(8-10-19)22(2,3)4/h5-10,15H,11-14H2,1-4H3,(H,23,25).
What are the key properties of N-(4-tert-butylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
N-(4-tert-butylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 416.54 g/mol, XLogP of 3.57, 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)-4-methyl-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 8779876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).