6-ethoxy-N-[4-(ethylsulfonylamino)-3-methylphenyl]-1H-indole-2-carboxamide

C20H23N3O4S — CID 55947691

IUPAC6-ethoxy-N-[4-(ethylsulfonylamino)-3-methylphenyl]-1H-indole-2-carboxamide
SMILESCCOc1ccc2cc(C(=O)Nc3ccc(NS(=O)(=O)CC)c(C)c3)[nH]c2c1
InChIInChI=1S/C20H23N3O4S/c1-4-27-16-8-6-14-11-19(22-18(14)12-16)20(24)21-15-7-9-17(13(3)10-15)23-28(25,26)5-2/h6-12,22-23H,4-5H2,1-3H3,(H,21,24)
InChIKeyONPKKQCFCHMFKU-UHFFFAOYSA-N
MW401.49 g/mol
LogP3.89
Rot. Bonds7

About 6-ethoxy-N-[4-(ethylsulfonylamino)-3-methylphenyl]-1H-indole-2-carboxamide

6-ethoxy-N-[4-(ethylsulfonylamino)-3-methylphenyl]-1H-indole-2-carboxamide (PubChem CID 55947691) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is 6-ethoxy-N-[4-(ethylsulfonylamino)-3-methylphenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-ethoxy-N-[4-(ethylsulfonylamino)-3-methylphenyl]-1H-indole-2-carboxamide
PubChem CID55947691
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC Name6-ethoxy-N-[4-(ethylsulfonylamino)-3-methylphenyl]-1H-indole-2-carboxamide
SMILESCCOc1ccc2cc(C(=O)Nc3ccc(NS(=O)(=O)CC)c(C)c3)[nH]c2c1
InChIInChI=1S/C20H23N3O4S/c1-4-27-16-8-6-14-11-19(22-18(14)12-16)20(24)21-15-7-9-17(13(3)10-15)23-28(25,26)5-2/h6-12,22-23H,4-5H2,1-3H3,(H,21,24)
InChIKeyONPKKQCFCHMFKU-UHFFFAOYSA-N
XLogP3.89
TPSA100.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide
CID 55948187
methyl 2-chloro-5-[(6-ethoxy-1H-indole-2-carbonyl)amino]benzoate
CID 55912733
N-(4-ethoxy-2-methylphenyl)ethanesulfonamide
CID 61063373
6-ethoxy-N-[4-methyl-2-(methylcarbamoyl)phenyl]-1H-indole-2-carboxamide
CID 146089109
N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-naphthalen-2-yloxyacetamide
CID 47067394
N-[3-(1,3-dithiolan-2-yl)phenyl]-6-ethoxy-1H-indole-2-carboxamide
CID 55827003
3-chloro-4-ethoxy-N-[4-(ethylsulfonylamino)-3-methylphenyl]-5-methoxybenzamide
CID 55946908
N-[5-chloro-2-(dimethylamino)phenyl]-6-ethoxy-1H-indole-2-carboxamide
CID 56532153
N-(4-ethylphenyl)-6-methoxy-1H-indole-2-carboxamide
CID 46555962
2-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide;hydrochloride
CID 119298074
2-(4-chlorophenoxy)-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide
CID 47067384
ethyl N-[4-[(6-chloro-1H-indole-2-carbonyl)amino]phenyl]carbamate
CID 60515896

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-[4-(ethylsulfonylamino)-3-methylphenyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-ethoxy-N-[4-(ethylsulfonylamino)-3-methylphenyl]-1H-indole-2-carboxamide (CID 55947691) is 6-ethoxy-N-[4-(ethylsulfonylamino)-3-methylphenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-ethoxy-N-[4-(ethylsulfonylamino)-3-methylphenyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-ethoxy-N-[4-(ethylsulfonylamino)-3-methylphenyl]-1H-indole-2-carboxamide is CCOc1ccc2cc(C(=O)Nc3ccc(NS(=O)(=O)CC)c(C)c3)[nH]c2c1.
What is the InChIKey of 6-ethoxy-N-[4-(ethylsulfonylamino)-3-methylphenyl]-1H-indole-2-carboxamide?
The InChIKey is ONPKKQCFCHMFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-4-27-16-8-6-14-11-19(22-18(14)12-16)20(24)21-15-7-9-17(13(3)10-15)23-28(25,26)5-2/h6-12,22-23H,4-5H2,1-3H3,(H,21,24).
What are the key properties of 6-ethoxy-N-[4-(ethylsulfonylamino)-3-methylphenyl]-1H-indole-2-carboxamide?
6-ethoxy-N-[4-(ethylsulfonylamino)-3-methylphenyl]-1H-indole-2-carboxamide has a molecular weight of 401.49 g/mol, XLogP of 3.89, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-[4-(ethylsulfonylamino)-3-methylphenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 55947691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).