4-methyl-N-[4-[2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]ethylcarbamoyl]phenyl]benzamide

C28H30N4O6S — CID 121062034

IUPAC4-methyl-N-[4-[2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]ethylcarbamoyl]phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(C(=O)NCCNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)cc1
InChIInChI=1S/C28H30N4O6S/c1-20-2-4-23(5-3-20)28(35)31-24-10-6-21(7-11-24)26(33)29-14-15-30-27(34)22-8-12-25(13-9-22)39(36,37)32-16-18-38-19-17-32/h2-13H,14-19H2,1H3,(H,29,33)(H,30,34)(H,31,35)
InChIKeyRPNXTUHFYQANRJ-UHFFFAOYSA-N
MW550.64 g/mol
LogP2.43
Rot. Bonds9

About 4-methyl-N-[4-[2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]ethylcarbamoyl]phenyl]benzamide

4-methyl-N-[4-[2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]ethylcarbamoyl]phenyl]benzamide (PubChem CID 121062034) has the molecular formula C28H30N4O6S and a molecular weight of 550.64 g/mol. Its IUPAC name is 4-methyl-N-[4-[2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]ethylcarbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[4-[2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]ethylcarbamoyl]phenyl]benzamide
PubChem CID121062034
Molecular FormulaC28H30N4O6S
Molecular Weight550.64 g/mol
Exact Mass550.19
IUPAC Name4-methyl-N-[4-[2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]ethylcarbamoyl]phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(C(=O)NCCNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)cc1
InChIInChI=1S/C28H30N4O6S/c1-20-2-4-23(5-3-20)28(35)31-24-10-6-21(7-11-24)26(33)29-14-15-30-27(34)22-8-12-25(13-9-22)39(36,37)32-16-18-38-19-17-32/h2-13H,14-19H2,1H3,(H,29,33)(H,30,34)(H,31,35)
InChIKeyRPNXTUHFYQANRJ-UHFFFAOYSA-N
XLogP2.43
TPSA133.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.64
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1152899
4-[methyl-(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 126190223
N-(3,5-dimethylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1077896
4-(acetamidomethyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 43030692
4-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 3955565
N-(4-fluorophenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1157332
4-methyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 26520994
4-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 17391128
N-(4-morpholin-4-ylsulfonylphenyl)-4-(pentanoylamino)benzamide
CID 2211272
[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 4-methyl-N-[4-[2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]ethylcarbamoyl]phenyl]benzamide?
The IUPAC name of 4-methyl-N-[4-[2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]ethylcarbamoyl]phenyl]benzamide (CID 121062034) is 4-methyl-N-[4-[2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]ethylcarbamoyl]phenyl]benzamide.
What is the SMILES notation for 4-methyl-N-[4-[2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]ethylcarbamoyl]phenyl]benzamide?
The canonical SMILES for 4-methyl-N-[4-[2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]ethylcarbamoyl]phenyl]benzamide is Cc1ccc(C(=O)Nc2ccc(C(=O)NCCNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)cc1.
What is the InChIKey of 4-methyl-N-[4-[2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]ethylcarbamoyl]phenyl]benzamide?
The InChIKey is RPNXTUHFYQANRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O6S/c1-20-2-4-23(5-3-20)28(35)31-24-10-6-21(7-11-24)26(33)29-14-15-30-27(34)22-8-12-25(13-9-22)39(36,37)32-16-18-38-19-17-32/h2-13H,14-19H2,1H3,(H,29,33)(H,30,34)(H,31,35).
What are the key properties of 4-methyl-N-[4-[2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]ethylcarbamoyl]phenyl]benzamide?
4-methyl-N-[4-[2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]ethylcarbamoyl]phenyl]benzamide has a molecular weight of 550.64 g/mol, XLogP of 2.43, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-[2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]ethylcarbamoyl]phenyl]benzamide is sourced from PubChem (CID 121062034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).