N-(4-morpholin-4-ylsulfonylphenyl)-4-(pentanoylamino)benzamide

C22H27N3O5S — CID 2211272

IUPACN-(4-morpholin-4-ylsulfonylphenyl)-4-(pentanoylamino)benzamide
SMILESCCCCC(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C22H27N3O5S/c1-2-3-4-21(26)23-18-7-5-17(6-8-18)22(27)24-19-9-11-20(12-10-19)31(28,29)25-13-15-30-16-14-25/h5-12H,2-4,13-16H2,1H3,(H,23,26)(H,24,27)
InChIKeyFXHGIOCNLQMNOB-UHFFFAOYSA-N
MW445.54 g/mol
LogP3.09
Rot. Bonds8

About N-(4-morpholin-4-ylsulfonylphenyl)-4-(pentanoylamino)benzamide

N-(4-morpholin-4-ylsulfonylphenyl)-4-(pentanoylamino)benzamide (PubChem CID 2211272) has the molecular formula C22H27N3O5S and a molecular weight of 445.54 g/mol. Its IUPAC name is N-(4-morpholin-4-ylsulfonylphenyl)-4-(pentanoylamino)benzamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylsulfonylphenyl)-4-(pentanoylamino)benzamide
PubChem CID2211272
Molecular FormulaC22H27N3O5S
Molecular Weight445.54 g/mol
Exact Mass445.17
IUPAC NameN-(4-morpholin-4-ylsulfonylphenyl)-4-(pentanoylamino)benzamide
SMILESCCCCC(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C22H27N3O5S/c1-2-3-4-21(26)23-18-7-5-17(6-8-18)22(27)24-19-9-11-20(12-10-19)31(28,29)25-13-15-30-16-14-25/h5-12H,2-4,13-16H2,1H3,(H,23,26)(H,24,27)
InChIKeyFXHGIOCNLQMNOB-UHFFFAOYSA-N
XLogP3.09
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 832695
N,N'-bis(4-morpholin-4-ylsulfonylphenyl)decanediamide
CID 17080112
N-(4-acetylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1152899
N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 832676
4-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 3955565
N-(4-fluorophenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1157332
4-methyl-N-[4-[2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]ethylcarbamoyl]phenyl]benzamide
CID 121062034
4-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 17391128
4-(acetamidomethyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 43030692
[4-[(4-morpholin-4-ylsulfonylphenyl)carbamoyl]phenyl] acetate
CID 1164288
4-morpholin-4-ylsulfonyl-N-nonylbenzamide
CID 46550002
4-morpholin-4-ylsulfonyl-N-(4-nitrophenyl)benzamide
CID 4282639

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylsulfonylphenyl)-4-(pentanoylamino)benzamide?
The IUPAC name of N-(4-morpholin-4-ylsulfonylphenyl)-4-(pentanoylamino)benzamide (CID 2211272) is N-(4-morpholin-4-ylsulfonylphenyl)-4-(pentanoylamino)benzamide.
What is the SMILES notation for N-(4-morpholin-4-ylsulfonylphenyl)-4-(pentanoylamino)benzamide?
The canonical SMILES for N-(4-morpholin-4-ylsulfonylphenyl)-4-(pentanoylamino)benzamide is CCCCC(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1.
What is the InChIKey of N-(4-morpholin-4-ylsulfonylphenyl)-4-(pentanoylamino)benzamide?
The InChIKey is FXHGIOCNLQMNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5S/c1-2-3-4-21(26)23-18-7-5-17(6-8-18)22(27)24-19-9-11-20(12-10-19)31(28,29)25-13-15-30-16-14-25/h5-12H,2-4,13-16H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-(4-morpholin-4-ylsulfonylphenyl)-4-(pentanoylamino)benzamide?
N-(4-morpholin-4-ylsulfonylphenyl)-4-(pentanoylamino)benzamide has a molecular weight of 445.54 g/mol, XLogP of 3.09, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylsulfonylphenyl)-4-(pentanoylamino)benzamide is sourced from PubChem (CID 2211272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).