N-[5-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide

C20H25N3O7S3 — CID 100501916

IUPACN-[5-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H25N3O7S3/c1-14(24)21-17-13-16(5-7-19(17)31-3)32(25,26)22-15-4-6-18(29-2)20(12-15)33(27,28)23-8-10-30-11-9-23/h4-7,12-13,22H,8-11H2,1-3H3,(H,21,24)
InChIKeyQKIPCIPAVPYUCD-UHFFFAOYSA-N
MW515.64 g/mol
LogP2.20
Rot. Bonds8

About N-[5-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide

N-[5-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide (PubChem CID 100501916) has the molecular formula C20H25N3O7S3 and a molecular weight of 515.64 g/mol. Its IUPAC name is N-[5-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide
PubChem CID100501916
Molecular FormulaC20H25N3O7S3
Molecular Weight515.64 g/mol
Exact Mass515.09
IUPAC NameN-[5-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H25N3O7S3/c1-14(24)21-17-13-16(5-7-19(17)31-3)32(25,26)22-15-4-6-18(29-2)20(12-15)33(27,28)23-8-10-30-11-9-23/h4-7,12-13,22H,8-11H2,1-3H3,(H,21,24)
InChIKeyQKIPCIPAVPYUCD-UHFFFAOYSA-N
XLogP2.20
TPSA131.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.64
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-[(2-methoxy-5-morpholin-4-ylsulfonylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 100651378
3-chloro-4-fluoro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 42992279
3-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)sulfamoyl]benzoic acid
CID 5176528
3-[4-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 4533150
4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 100539420
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-(3-methylbutyl)benzenesulfonamide
CID 30953534
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2,2-dimethylpropanamide
CID 4578456
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 100679263
3-bromo-4-methoxy-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 1349058
2-(4-fluoroanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4885170
3-fluoro-4-methoxy-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 25438460
(2S)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-phenoxypropanamide
CID 7917142

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide?
The IUPAC name of N-[5-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide (CID 100501916) is N-[5-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide.
What is the SMILES notation for N-[5-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide?
The canonical SMILES for N-[5-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide is COc1ccc(NS(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-[5-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide?
The InChIKey is QKIPCIPAVPYUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O7S3/c1-14(24)21-17-13-16(5-7-19(17)31-3)32(25,26)22-15-4-6-18(29-2)20(12-15)33(27,28)23-8-10-30-11-9-23/h4-7,12-13,22H,8-11H2,1-3H3,(H,21,24).
What are the key properties of N-[5-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide?
N-[5-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide has a molecular weight of 515.64 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide is sourced from PubChem (CID 100501916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).