2-[5-[(4-ethoxyphenyl)sulfamoyl]-1H-indol-3-yl]ethylcarbamic acid

C19H21N3O5S — CID 19844106

IUPAC2-[5-[(4-ethoxyphenyl)sulfamoyl]-1H-indol-3-yl]ethylcarbamic acid
SMILESCCOc1ccc(NS(=O)(=O)c2ccc3[nH]cc(CCNC(=O)O)c3c2)cc1
InChIInChI=1S/C19H21N3O5S/c1-2-27-15-5-3-14(4-6-15)22-28(25,26)16-7-8-18-17(11-16)13(12-21-18)9-10-20-19(23)24/h3-8,11-12,20-22H,2,9-10H2,1H3,(H,23,24)
InChIKeyZUDDPSLUGBCGIM-UHFFFAOYSA-N
MW403.46 g/mol
LogP3.18
Rot. Bonds8

About 2-[5-[(4-ethoxyphenyl)sulfamoyl]-1H-indol-3-yl]ethylcarbamic acid

2-[5-[(4-ethoxyphenyl)sulfamoyl]-1H-indol-3-yl]ethylcarbamic acid (PubChem CID 19844106) has the molecular formula C19H21N3O5S and a molecular weight of 403.46 g/mol. Its IUPAC name is 2-[5-[(4-ethoxyphenyl)sulfamoyl]-1H-indol-3-yl]ethylcarbamic acid.

Molecular Properties

Compound Name2-[5-[(4-ethoxyphenyl)sulfamoyl]-1H-indol-3-yl]ethylcarbamic acid
PubChem CID19844106
Molecular FormulaC19H21N3O5S
Molecular Weight403.46 g/mol
Exact Mass403.12
IUPAC Name2-[5-[(4-ethoxyphenyl)sulfamoyl]-1H-indol-3-yl]ethylcarbamic acid
SMILESCCOc1ccc(NS(=O)(=O)c2ccc3[nH]cc(CCNC(=O)O)c3c2)cc1
InChIInChI=1S/C19H21N3O5S/c1-2-27-15-5-3-14(4-6-15)22-28(25,26)16-7-8-18-17(11-16)13(12-21-18)9-10-20-19(23)24/h3-8,11-12,20-22H,2,9-10H2,1H3,(H,23,24)
InChIKeyZUDDPSLUGBCGIM-UHFFFAOYSA-N
XLogP3.18
TPSA120.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 53.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(dimethylamino)ethyl]-N-(4-ethoxyphenyl)-1H-indole-5-sulfonamide
CID 19844112
6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
CID 3522985
3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 26710792
6-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)-4-oxo-1H-quinoline-3-carboxamide
CID 20854286
2-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 29239688
6-[(4-ethoxyphenyl)sulfamoyl]-N,N-bis(2-methylpropyl)-4-oxo-1H-quinoline-3-carboxamide
CID 3679674
3-(azepane-1-carbonyl)-N-(4-ethoxyphenyl)-4-oxo-1H-quinoline-6-sulfonamide
CID 15990653
3-(4-ethoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 109027444
2-[4-[(4-ethoxyphenyl)sulfonylamino]phenoxy]acetic acid
CID 1260151
5-[(4-ethoxyphenyl)sulfamoyl]-N,2-dimethyl-N-propylbenzamide
CID 86866408
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
2-[5-(hydroxymethyl)-1H-indol-3-yl]ethylcarbamic acid
CID 70391610

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-ethoxyphenyl)sulfamoyl]-1H-indol-3-yl]ethylcarbamic acid?
The IUPAC name of 2-[5-[(4-ethoxyphenyl)sulfamoyl]-1H-indol-3-yl]ethylcarbamic acid (CID 19844106) is 2-[5-[(4-ethoxyphenyl)sulfamoyl]-1H-indol-3-yl]ethylcarbamic acid.
What is the SMILES notation for 2-[5-[(4-ethoxyphenyl)sulfamoyl]-1H-indol-3-yl]ethylcarbamic acid?
The canonical SMILES for 2-[5-[(4-ethoxyphenyl)sulfamoyl]-1H-indol-3-yl]ethylcarbamic acid is CCOc1ccc(NS(=O)(=O)c2ccc3[nH]cc(CCNC(=O)O)c3c2)cc1.
What is the InChIKey of 2-[5-[(4-ethoxyphenyl)sulfamoyl]-1H-indol-3-yl]ethylcarbamic acid?
The InChIKey is ZUDDPSLUGBCGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5S/c1-2-27-15-5-3-14(4-6-15)22-28(25,26)16-7-8-18-17(11-16)13(12-21-18)9-10-20-19(23)24/h3-8,11-12,20-22H,2,9-10H2,1H3,(H,23,24).
What are the key properties of 2-[5-[(4-ethoxyphenyl)sulfamoyl]-1H-indol-3-yl]ethylcarbamic acid?
2-[5-[(4-ethoxyphenyl)sulfamoyl]-1H-indol-3-yl]ethylcarbamic acid has a molecular weight of 403.46 g/mol, XLogP of 3.18, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-ethoxyphenyl)sulfamoyl]-1H-indol-3-yl]ethylcarbamic acid is sourced from PubChem (CID 19844106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).