N-[4-[(1,2-dimethylindol-5-yl)methylsulfamoyl]phenyl]acetamide

C19H21N3O3S — CID 4299391

IUPACN-[4-[(1,2-dimethylindol-5-yl)methylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCc2ccc3c(c2)cc(C)n3C)cc1
InChIInChI=1S/C19H21N3O3S/c1-13-10-16-11-15(4-9-19(16)22(13)3)12-20-26(24,25)18-7-5-17(6-8-18)21-14(2)23/h4-11,20H,12H2,1-3H3,(H,21,23)
InChIKeyWXVMMMZUPCYHGP-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.92
Rot. Bonds5

About N-[4-[(1,2-dimethylindol-5-yl)methylsulfamoyl]phenyl]acetamide

N-[4-[(1,2-dimethylindol-5-yl)methylsulfamoyl]phenyl]acetamide (PubChem CID 4299391) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[4-[(1,2-dimethylindol-5-yl)methylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(1,2-dimethylindol-5-yl)methylsulfamoyl]phenyl]acetamide
PubChem CID4299391
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-[4-[(1,2-dimethylindol-5-yl)methylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCc2ccc3c(c2)cc(C)n3C)cc1
InChIInChI=1S/C19H21N3O3S/c1-13-10-16-11-15(4-9-19(16)22(13)3)12-20-26(24,25)18-7-5-17(6-8-18)21-14(2)23/h4-11,20H,12H2,1-3H3,(H,21,23)
InChIKeyWXVMMMZUPCYHGP-UHFFFAOYSA-N
XLogP2.92
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[(1,2-dimethylindol-5-yl)methyl]benzenesulfonamide
CID 3438770
N-[4-[(4-methylphenyl)methylsulfamoyl]phenyl]acetamide
CID 669174
N-[4-[(1,2,5-trimethylpyrrol-3-yl)methylsulfamoyl]phenyl]acetamide
CID 110642115
N-[(1,2-dimethylindol-5-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110427929
N-[(1,2-dimethylindol-5-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110427909
N-[4-(benzenesulfonamidomethyl)phenyl]acetamide
CID 32683830
N-[4-[(4-propylphenyl)methylsulfamoyl]phenyl]acetamide
CID 110780438
N-[4-[[4-(dimethylamino)phenyl]methylsulfamoyl]phenyl]acetamide
CID 9031624
[4-[[(4-acetamidophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium
CID 9191327
N-[4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylsulfamoyl]phenyl]acetamide
CID 26531816
N-[4-(1,3-benzoxazol-6-ylmethylsulfamoyl)phenyl]acetamide
CID 110785059
N-[4-[(4-propan-2-yloxyphenyl)methylsulfamoyl]phenyl]acetamide
CID 53281637

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1,2-dimethylindol-5-yl)methylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(1,2-dimethylindol-5-yl)methylsulfamoyl]phenyl]acetamide (CID 4299391) is N-[4-[(1,2-dimethylindol-5-yl)methylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(1,2-dimethylindol-5-yl)methylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(1,2-dimethylindol-5-yl)methylsulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc3c(c2)cc(C)n3C)cc1.
What is the InChIKey of N-[4-[(1,2-dimethylindol-5-yl)methylsulfamoyl]phenyl]acetamide?
The InChIKey is WXVMMMZUPCYHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-13-10-16-11-15(4-9-19(16)22(13)3)12-20-26(24,25)18-7-5-17(6-8-18)21-14(2)23/h4-11,20H,12H2,1-3H3,(H,21,23).
What are the key properties of N-[4-[(1,2-dimethylindol-5-yl)methylsulfamoyl]phenyl]acetamide?
N-[4-[(1,2-dimethylindol-5-yl)methylsulfamoyl]phenyl]acetamide has a molecular weight of 371.46 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1,2-dimethylindol-5-yl)methylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 4299391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).