N-(3-methylsulfanylphenyl)-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide

C20H25N3O6S3 — CID 30267001

IUPACN-(3-methylsulfanylphenyl)-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide
SMILESCSc1cccc(NC(=O)CN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C20H25N3O6S3/c1-30-18-5-3-4-16(14-18)21-20(24)15-23(31(2,25)26)17-6-8-19(9-7-17)32(27,28)22-10-12-29-13-11-22/h3-9,14H,10-13,15H2,1-2H3,(H,21,24)
InChIKeyXHCBMAKGEYHQGH-UHFFFAOYSA-N
MW499.64 g/mol
LogP1.83
Rot. Bonds8

About N-(3-methylsulfanylphenyl)-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide

N-(3-methylsulfanylphenyl)-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide (PubChem CID 30267001) has the molecular formula C20H25N3O6S3 and a molecular weight of 499.64 g/mol. Its IUPAC name is N-(3-methylsulfanylphenyl)-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3-methylsulfanylphenyl)-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide
PubChem CID30267001
Molecular FormulaC20H25N3O6S3
Molecular Weight499.64 g/mol
Exact Mass499.09
IUPAC NameN-(3-methylsulfanylphenyl)-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide
SMILESCSc1cccc(NC(=O)CN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C20H25N3O6S3/c1-30-18-5-3-4-16(14-18)21-20(24)15-23(31(2,25)26)17-6-8-19(9-7-17)32(27,28)22-10-12-29-13-11-22/h3-9,14H,10-13,15H2,1-2H3,(H,21,24)
InChIKeyXHCBMAKGEYHQGH-UHFFFAOYSA-N
XLogP1.83
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.64
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(4-tert-butylbenzoyl)phenyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide
CID 43900631
N-(4-chlorophenyl)-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide
CID 30259197
2-(3-methylsulfanyl-N-methylsulfonylanilino)-N-(4-morpholin-4-ylphenyl)acetamide
CID 100523212
N-[4-(diethylsulfamoyl)phenyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide
CID 43900101
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-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(1-phenylethyl)acetamide
CID 43899401
N-(3-methylbutyl)-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide
CID 30269941
2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(3-phenylpropyl)acetamide
CID 30271532
N-(4-morpholin-4-ylsulfonylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
CID 30256622
3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-(3-methylsulfanylphenyl)propanamide
CID 26086824
2-(3-methylsulfanyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 50945905

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylphenyl)-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide?
The IUPAC name of N-(3-methylsulfanylphenyl)-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide (CID 30267001) is N-(3-methylsulfanylphenyl)-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide.
What is the SMILES notation for N-(3-methylsulfanylphenyl)-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide?
The canonical SMILES for N-(3-methylsulfanylphenyl)-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide is CSc1cccc(NC(=O)CN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)c1.
What is the InChIKey of N-(3-methylsulfanylphenyl)-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide?
The InChIKey is XHCBMAKGEYHQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O6S3/c1-30-18-5-3-4-16(14-18)21-20(24)15-23(31(2,25)26)17-6-8-19(9-7-17)32(27,28)22-10-12-29-13-11-22/h3-9,14H,10-13,15H2,1-2H3,(H,21,24).
What are the key properties of N-(3-methylsulfanylphenyl)-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide?
N-(3-methylsulfanylphenyl)-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide has a molecular weight of 499.64 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylphenyl)-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide is sourced from PubChem (CID 30267001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).