N-[[5-[(4-methyl-3-morpholin-4-ylsulfonylphenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide

C18H23N3O6S3 — CID 16553878

IUPACN-[[5-[(4-methyl-3-morpholin-4-ylsulfonylphenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)s1
InChIInChI=1S/C18H23N3O6S3/c1-13-3-4-15(11-17(13)30(25,26)21-7-9-27-10-8-21)20-29(23,24)18-6-5-16(28-18)12-19-14(2)22/h3-6,11,20H,7-10,12H2,1-2H3,(H,19,22)
InChIKeyKRBFXURVBGICIC-UHFFFAOYSA-N
MW473.60 g/mol
LogP1.51
Rot. Bonds7

About N-[[5-[(4-methyl-3-morpholin-4-ylsulfonylphenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide

N-[[5-[(4-methyl-3-morpholin-4-ylsulfonylphenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide (PubChem CID 16553878) has the molecular formula C18H23N3O6S3 and a molecular weight of 473.60 g/mol. Its IUPAC name is N-[[5-[(4-methyl-3-morpholin-4-ylsulfonylphenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[(4-methyl-3-morpholin-4-ylsulfonylphenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide
PubChem CID16553878
Molecular FormulaC18H23N3O6S3
Molecular Weight473.60 g/mol
Exact Mass473.07
IUPAC NameN-[[5-[(4-methyl-3-morpholin-4-ylsulfonylphenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)s1
InChIInChI=1S/C18H23N3O6S3/c1-13-3-4-15(11-17(13)30(25,26)21-7-9-27-10-8-21)20-29(23,24)18-6-5-16(28-18)12-19-14(2)22/h3-6,11,20H,7-10,12H2,1-2H3,(H,19,22)
InChIKeyKRBFXURVBGICIC-UHFFFAOYSA-N
XLogP1.51
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 39792074
N-[[5-[(4-methylphenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 16553822
N-[[5-[[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 122326208
N-[[5-[(4-acetamido-3-chlorophenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 16604918
N-[[5-[(3,4-dimethoxyphenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 16553867
2-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3409401
2-(3,4-dimethylphenoxy)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 41248003
2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-N-phenylacetamide
CID 9100328
(2R)-2-acetamido-3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)butanamide
CID 9243660
5-bromo-N-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]furan-2-carboxamide
CID 24620415
N-(4-bromophenyl)-2-(4-methyl-3-morpholin-4-ylsulfonylanilino)acetamide
CID 26438150
N-[[5-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 55681813

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-methyl-3-morpholin-4-ylsulfonylphenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-[(4-methyl-3-morpholin-4-ylsulfonylphenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide (CID 16553878) is N-[[5-[(4-methyl-3-morpholin-4-ylsulfonylphenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[(4-methyl-3-morpholin-4-ylsulfonylphenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[(4-methyl-3-morpholin-4-ylsulfonylphenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide is CC(=O)NCc1ccc(S(=O)(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)s1.
What is the InChIKey of N-[[5-[(4-methyl-3-morpholin-4-ylsulfonylphenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide?
The InChIKey is KRBFXURVBGICIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O6S3/c1-13-3-4-15(11-17(13)30(25,26)21-7-9-27-10-8-21)20-29(23,24)18-6-5-16(28-18)12-19-14(2)22/h3-6,11,20H,7-10,12H2,1-2H3,(H,19,22).
What are the key properties of N-[[5-[(4-methyl-3-morpholin-4-ylsulfonylphenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide?
N-[[5-[(4-methyl-3-morpholin-4-ylsulfonylphenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide has a molecular weight of 473.60 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-methyl-3-morpholin-4-ylsulfonylphenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide is sourced from PubChem (CID 16553878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).