N-[4-[[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]sulfamoyl]phenyl]acetamide

C26H28N4O3S — CID 42994767

IUPACN-[4-[[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCC(c2ccc(N(C)C)cc2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C26H28N4O3S/c1-18(31)29-20-10-14-22(15-11-20)34(32,33)28-17-24(19-8-12-21(13-9-19)30(2)3)25-16-27-26-7-5-4-6-23(25)26/h4-16,24,27-28H,17H2,1-3H3,(H,29,31)
InChIKeyCHDDIJPBIOGLSS-UHFFFAOYSA-N
MW476.60 g/mol
LogP4.30
Rot. Bonds8

About N-[4-[[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]sulfamoyl]phenyl]acetamide

N-[4-[[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]sulfamoyl]phenyl]acetamide (PubChem CID 42994767) has the molecular formula C26H28N4O3S and a molecular weight of 476.60 g/mol. Its IUPAC name is N-[4-[[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]sulfamoyl]phenyl]acetamide
PubChem CID42994767
Molecular FormulaC26H28N4O3S
Molecular Weight476.60 g/mol
Exact Mass476.19
IUPAC NameN-[4-[[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCC(c2ccc(N(C)C)cc2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C26H28N4O3S/c1-18(31)29-20-10-14-22(15-11-20)34(32,33)28-17-24(19-8-12-21(13-9-19)30(2)3)25-16-27-26-7-5-4-6-23(25)26/h4-16,24,27-28H,17H2,1-3H3,(H,29,31)
InChIKeyCHDDIJPBIOGLSS-UHFFFAOYSA-N
XLogP4.30
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-(4-acetamidophenyl)-N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]acetamide
CID 41084156
N-[2-(1H-indol-3-yl)-2-phenylethyl]-4-methylbenzenesulfonamide
CID 42994892
N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-4-(dimethylsulfamoyl)benzamide
CID 3461746
3-acetyl-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzenesulfonamide
CID 42994894
N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide
CID 43004905
N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-2-(2-methoxyethoxy)propanamide
CID 86949984
N-[2-(1H-indol-3-yl)-2-phenylethyl]-3,4-dimethoxybenzenesulfonamide
CID 43001237
N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]furan-2-carboxamide
CID 43004909
N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 40862796
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 9464980
N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-3-methylthiophene-2-carboxamide
CID 43004910
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 26918563

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]sulfamoyl]phenyl]acetamide (CID 42994767) is N-[4-[[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCC(c2ccc(N(C)C)cc2)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-[4-[[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]sulfamoyl]phenyl]acetamide?
The InChIKey is CHDDIJPBIOGLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3S/c1-18(31)29-20-10-14-22(15-11-20)34(32,33)28-17-24(19-8-12-21(13-9-19)30(2)3)25-16-27-26-7-5-4-6-23(25)26/h4-16,24,27-28H,17H2,1-3H3,(H,29,31).
What are the key properties of N-[4-[[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]sulfamoyl]phenyl]acetamide?
N-[4-[[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]sulfamoyl]phenyl]acetamide has a molecular weight of 476.60 g/mol, XLogP of 4.30, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 42994767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).