4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]butanamide

C23H26ClN5O6S2 — CID 43886497

IUPAC4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]butanamide
SMILESCOc1ccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)S(C)(=O)=O)cc1Cl
InChIInChI=1S/C23H26ClN5O6S2/c1-16-12-13-25-23(26-16)28-37(33,34)19-9-6-17(7-10-19)27-22(30)5-4-14-29(36(3,31)32)18-8-11-21(35-2)20(24)15-18/h6-13,15H,4-5,14H2,1-3H3,(H,27,30)(H,25,26,28)
InChIKeyULEOATHJNRGFLC-UHFFFAOYSA-N
MW568.08 g/mol
LogP3.43
Rot. Bonds11

About 4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]butanamide

4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]butanamide (PubChem CID 43886497) has the molecular formula C23H26ClN5O6S2 and a molecular weight of 568.08 g/mol. Its IUPAC name is 4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]butanamide.

Molecular Properties

Compound Name4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]butanamide
PubChem CID43886497
Molecular FormulaC23H26ClN5O6S2
Molecular Weight568.08 g/mol
Exact Mass567.10
IUPAC Name4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]butanamide
SMILESCOc1ccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)S(C)(=O)=O)cc1Cl
InChIInChI=1S/C23H26ClN5O6S2/c1-16-12-13-25-23(26-16)28-37(33,34)19-9-6-17(7-10-19)27-22(30)5-4-14-29(36(3,31)32)18-8-11-21(35-2)20(24)15-18/h6-13,15H,4-5,14H2,1-3H3,(H,27,30)(H,25,26,28)
InChIKeyULEOATHJNRGFLC-UHFFFAOYSA-N
XLogP3.43
TPSA147.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.08
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]butanamide with MolForge

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Related Compounds

N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-(3-chloro-4-methoxy-N-methylsulfonylanilino)butanamide
CID 19062091
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 46770048
4-(3,4-dimethyl-N-methylsulfonylanilino)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]butanamide
CID 99943076
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 43908968
(2S)-2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 99644737
4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide
CID 53281074
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide
CID 99942412
2-(4-ethoxy-N-methylsulfonylanilino)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 30385719
4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
CID 43886818
N-(3,4-dimethoxyphenyl)-4-(3,4-dimethyl-N-methylsulfonylanilino)butanamide
CID 53280943
4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-cyclopropylbutanamide
CID 53280919
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-4-(pentanoylamino)benzamide;hydrochloride
CID 163328969

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]butanamide?
The IUPAC name of 4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]butanamide (CID 43886497) is 4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]butanamide.
What is the SMILES notation for 4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]butanamide?
The canonical SMILES for 4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]butanamide is COc1ccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)S(C)(=O)=O)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]butanamide?
The InChIKey is ULEOATHJNRGFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O6S2/c1-16-12-13-25-23(26-16)28-37(33,34)19-9-6-17(7-10-19)27-22(30)5-4-14-29(36(3,31)32)18-8-11-21(35-2)20(24)15-18/h6-13,15H,4-5,14H2,1-3H3,(H,27,30)(H,25,26,28).
What are the key properties of 4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]butanamide?
4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]butanamide has a molecular weight of 568.08 g/mol, XLogP of 3.43, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]butanamide is sourced from PubChem (CID 43886497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).