N-[2-(1H-indol-5-ylamino)-2-oxoethyl]-4-[phenoxy(phenyl)sulfamoyl]benzamide

C29H24N4O5S — CID 87471771

IUPACN-[2-(1H-indol-5-ylamino)-2-oxoethyl]-4-[phenoxy(phenyl)sulfamoyl]benzamide
SMILESO=C(CNC(=O)c1ccc(S(=O)(=O)N(Oc2ccccc2)c2ccccc2)cc1)Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C29H24N4O5S/c34-28(32-23-13-16-27-22(19-23)17-18-30-27)20-31-29(35)21-11-14-26(15-12-21)39(36,37)33(24-7-3-1-4-8-24)38-25-9-5-2-6-10-25/h1-19,30H,20H2,(H,31,35)(H,32,34)
InChIKeyHLWBEHOQKYTNBF-UHFFFAOYSA-N
MW540.60 g/mol
LogP4.73
Rot. Bonds9

About N-[2-(1H-indol-5-ylamino)-2-oxoethyl]-4-[phenoxy(phenyl)sulfamoyl]benzamide

N-[2-(1H-indol-5-ylamino)-2-oxoethyl]-4-[phenoxy(phenyl)sulfamoyl]benzamide (PubChem CID 87471771) has the molecular formula C29H24N4O5S and a molecular weight of 540.60 g/mol. Its IUPAC name is N-[2-(1H-indol-5-ylamino)-2-oxoethyl]-4-[phenoxy(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[2-(1H-indol-5-ylamino)-2-oxoethyl]-4-[phenoxy(phenyl)sulfamoyl]benzamide
PubChem CID87471771
Molecular FormulaC29H24N4O5S
Molecular Weight540.60 g/mol
Exact Mass540.15
IUPAC NameN-[2-(1H-indol-5-ylamino)-2-oxoethyl]-4-[phenoxy(phenyl)sulfamoyl]benzamide
SMILESO=C(CNC(=O)c1ccc(S(=O)(=O)N(Oc2ccccc2)c2ccccc2)cc1)Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C29H24N4O5S/c34-28(32-23-13-16-27-22(19-23)17-18-30-27)20-31-29(35)21-11-14-26(15-12-21)39(36,37)33(24-7-3-1-4-8-24)38-25-9-5-2-6-10-25/h1-19,30H,20H2,(H,31,35)(H,32,34)
InChIKeyHLWBEHOQKYTNBF-UHFFFAOYSA-N
XLogP4.73
TPSA120.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.60
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]-4-[phenoxy(phenyl)sulfamoyl]benzamide
CID 87472130
N-[2-[ethyl(methylamino)amino]-2-oxoethyl]-4-[phenoxy(phenyl)sulfamoyl]benzamide;hydrochloride
CID 87471937
N-[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]benzamide
CID 4788124
N-[2-[ethyl(pyrrolidin-1-yl)amino]-2-oxoethyl]-4-[phenoxy(phenyl)sulfamoyl]benzamide
CID 87473295
N-(1H-indol-5-yl)-3-oxo-3-phenylpropanamide
CID 110473206
N-ethyl-N-[2-[[4-[phenoxy(phenyl)sulfamoyl]benzoyl]amino]acetyl]piperazin-1-amine oxide;hydrochloride
CID 87471127
2-[[4-[(4-bromo-2-chlorophenoxy)-phenylsulfamoyl]benzoyl]amino]acetic acid
CID 87471293
3-hydroxy-N-(1H-indol-5-yl)-3-phenylbutanamide
CID 110024564
4-(1H-indol-5-ylamino)-4-oxobutanoic acid
CID 54867490
N-methyl-4-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 54838200
4-(diethylsulfamoyl)-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 9341770
2-(diethylsulfamoyl)-N-(1H-indol-5-yl)acetamide
CID 71984625

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-5-ylamino)-2-oxoethyl]-4-[phenoxy(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-[2-(1H-indol-5-ylamino)-2-oxoethyl]-4-[phenoxy(phenyl)sulfamoyl]benzamide (CID 87471771) is N-[2-(1H-indol-5-ylamino)-2-oxoethyl]-4-[phenoxy(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[2-(1H-indol-5-ylamino)-2-oxoethyl]-4-[phenoxy(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[2-(1H-indol-5-ylamino)-2-oxoethyl]-4-[phenoxy(phenyl)sulfamoyl]benzamide is O=C(CNC(=O)c1ccc(S(=O)(=O)N(Oc2ccccc2)c2ccccc2)cc1)Nc1ccc2[nH]ccc2c1.
What is the InChIKey of N-[2-(1H-indol-5-ylamino)-2-oxoethyl]-4-[phenoxy(phenyl)sulfamoyl]benzamide?
The InChIKey is HLWBEHOQKYTNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N4O5S/c34-28(32-23-13-16-27-22(19-23)17-18-30-27)20-31-29(35)21-11-14-26(15-12-21)39(36,37)33(24-7-3-1-4-8-24)38-25-9-5-2-6-10-25/h1-19,30H,20H2,(H,31,35)(H,32,34).
What are the key properties of N-[2-(1H-indol-5-ylamino)-2-oxoethyl]-4-[phenoxy(phenyl)sulfamoyl]benzamide?
N-[2-(1H-indol-5-ylamino)-2-oxoethyl]-4-[phenoxy(phenyl)sulfamoyl]benzamide has a molecular weight of 540.60 g/mol, XLogP of 4.73, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-5-ylamino)-2-oxoethyl]-4-[phenoxy(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 87471771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).