N-[4-(diethylsulfamoyl)phenyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide

C23H32N4O8S3 — CID 43900101

IUPACN-[4-(diethylsulfamoyl)phenyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C23H32N4O8S3/c1-4-25(5-2)37(31,32)21-10-6-19(7-11-21)24-23(28)18-27(36(3,29)30)20-8-12-22(13-9-20)38(33,34)26-14-16-35-17-15-26/h6-13H,4-5,14-18H2,1-3H3,(H,24,28)
InChIKeyOOPJBDWOLUPQRB-UHFFFAOYSA-N
MW588.73 g/mol
LogP1.14
Rot. Bonds11

About N-[4-(diethylsulfamoyl)phenyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide

N-[4-(diethylsulfamoyl)phenyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide (PubChem CID 43900101) has the molecular formula C23H32N4O8S3 and a molecular weight of 588.73 g/mol. Its IUPAC name is N-[4-(diethylsulfamoyl)phenyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[4-(diethylsulfamoyl)phenyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide
PubChem CID43900101
Molecular FormulaC23H32N4O8S3
Molecular Weight588.73 g/mol
Exact Mass588.14
IUPAC NameN-[4-(diethylsulfamoyl)phenyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C23H32N4O8S3/c1-4-25(5-2)37(31,32)21-10-6-19(7-11-21)24-23(28)18-27(36(3,29)30)20-8-12-22(13-9-20)38(33,34)26-14-16-35-17-15-26/h6-13H,4-5,14-18H2,1-3H3,(H,24,28)
InChIKeyOOPJBDWOLUPQRB-UHFFFAOYSA-N
XLogP1.14
TPSA150.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500588.73
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-chlorophenyl)-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide
CID 30259197
2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 1251736
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 51342942
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 51343376
N-(3-methylsulfanylphenyl)-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide
CID 30267001
2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 2897695
N,N-diethyl-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 631492
N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 832676
N-(3-methylbutyl)-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide
CID 30269941
2-[3-(diethylamino)propyl-(4-morpholin-4-ylsulfonylphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 3185266
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 4164776
N-[3-(4-tert-butylbenzoyl)phenyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide
CID 43900631

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide?
The IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide (CID 43900101) is N-[4-(diethylsulfamoyl)phenyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide.
What is the SMILES notation for N-[4-(diethylsulfamoyl)phenyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide?
The canonical SMILES for N-[4-(diethylsulfamoyl)phenyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of N-[4-(diethylsulfamoyl)phenyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide?
The InChIKey is OOPJBDWOLUPQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O8S3/c1-4-25(5-2)37(31,32)21-10-6-19(7-11-21)24-23(28)18-27(36(3,29)30)20-8-12-22(13-9-20)38(33,34)26-14-16-35-17-15-26/h6-13H,4-5,14-18H2,1-3H3,(H,24,28).
What are the key properties of N-[4-(diethylsulfamoyl)phenyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide?
N-[4-(diethylsulfamoyl)phenyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide has a molecular weight of 588.73 g/mol, XLogP of 1.14, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylsulfamoyl)phenyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide is sourced from PubChem (CID 43900101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).