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

C20H23N3O5S — CID 43030692

IUPAC4-(acetamidomethyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
SMILESCC(=O)NCc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C20H23N3O5S/c1-15(24)21-14-16-2-4-17(5-3-16)20(25)22-18-6-8-19(9-7-18)29(26,27)23-10-12-28-13-11-23/h2-9H,10-14H2,1H3,(H,21,24)(H,22,25)
InChIKeyIFJZUIARZPBKRW-UHFFFAOYSA-N
MW417.49 g/mol
LogP1.60
Rot. Bonds6

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

4-(acetamidomethyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide (PubChem CID 43030692) has the molecular formula C20H23N3O5S and a molecular weight of 417.49 g/mol. Its IUPAC name is 4-(acetamidomethyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name4-(acetamidomethyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
PubChem CID43030692
Molecular FormulaC20H23N3O5S
Molecular Weight417.49 g/mol
Exact Mass417.14
IUPAC Name4-(acetamidomethyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
SMILESCC(=O)NCc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C20H23N3O5S/c1-15(24)21-14-16-2-4-17(5-3-16)20(25)22-18-6-8-19(9-7-18)29(26,27)23-10-12-28-13-11-23/h2-9H,10-14H2,1H3,(H,21,24)(H,22,25)
InChIKeyIFJZUIARZPBKRW-UHFFFAOYSA-N
XLogP1.60
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1152899
4-methyl-N-[4-[2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]ethylcarbamoyl]phenyl]benzamide
CID 121062034
4-(acetamidomethyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 46820186
4-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 3955565
N-(4-fluorophenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1157332
[4-[(4-morpholin-4-ylsulfonylphenyl)carbamoyl]phenyl] acetate
CID 1164288
4-(morpholin-4-ylsulfonylmethyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 92646444
N-[(4-methoxyphenyl)methyl]-4-morpholin-4-ylsulfonylbenzamide
CID 2429764
4-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 17391128
N-(4-morpholin-4-ylsulfonylphenyl)-4-(pentanoylamino)benzamide
CID 2211272
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-(morpholin-4-ylmethyl)benzamide
CID 126320858
4-morpholin-4-ylsulfonyl-N-[4-(phenylsulfanylmethyl)phenyl]benzamide
CID 100678383

Frequently Asked Questions

What is the IUPAC name of 4-(acetamidomethyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide?
The IUPAC name of 4-(acetamidomethyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide (CID 43030692) is 4-(acetamidomethyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 4-(acetamidomethyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide?
The canonical SMILES for 4-(acetamidomethyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide is CC(=O)NCc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1.
What is the InChIKey of 4-(acetamidomethyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide?
The InChIKey is IFJZUIARZPBKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5S/c1-15(24)21-14-16-2-4-17(5-3-16)20(25)22-18-6-8-19(9-7-18)29(26,27)23-10-12-28-13-11-23/h2-9H,10-14H2,1H3,(H,21,24)(H,22,25).
What are the key properties of 4-(acetamidomethyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide?
4-(acetamidomethyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide has a molecular weight of 417.49 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acetamidomethyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 43030692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).