N-(1-ethyl-2-oxo-3H-indol-5-yl)-3-(4-methylsulfonylphenyl)propanamide

C20H22N2O4S — CID 91624454

IUPACN-(1-ethyl-2-oxo-3H-indol-5-yl)-3-(4-methylsulfonylphenyl)propanamide
SMILESCCN1C(=O)Cc2cc(NC(=O)CCc3ccc(S(C)(=O)=O)cc3)ccc21
InChIInChI=1S/C20H22N2O4S/c1-3-22-18-10-7-16(12-15(18)13-20(22)24)21-19(23)11-6-14-4-8-17(9-5-14)27(2,25)26/h4-5,7-10,12H,3,6,11,13H2,1-2H3,(H,21,23)
InChIKeyIBISMFMHTSXMFL-UHFFFAOYSA-N
MW386.47 g/mol
LogP2.57
Rot. Bonds6

About N-(1-ethyl-2-oxo-3H-indol-5-yl)-3-(4-methylsulfonylphenyl)propanamide

N-(1-ethyl-2-oxo-3H-indol-5-yl)-3-(4-methylsulfonylphenyl)propanamide (PubChem CID 91624454) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is N-(1-ethyl-2-oxo-3H-indol-5-yl)-3-(4-methylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-(1-ethyl-2-oxo-3H-indol-5-yl)-3-(4-methylsulfonylphenyl)propanamide
PubChem CID91624454
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC NameN-(1-ethyl-2-oxo-3H-indol-5-yl)-3-(4-methylsulfonylphenyl)propanamide
SMILESCCN1C(=O)Cc2cc(NC(=O)CCc3ccc(S(C)(=O)=O)cc3)ccc21
InChIInChI=1S/C20H22N2O4S/c1-3-22-18-10-7-16(12-15(18)13-20(22)24)21-19(23)11-6-14-4-8-17(9-5-14)27(2,25)26/h4-5,7-10,12H,3,6,11,13H2,1-2H3,(H,21,23)
InChIKeyIBISMFMHTSXMFL-UHFFFAOYSA-N
XLogP2.57
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-phenylpropanamide
CID 20933537
N-(1-ethyl-2-oxo-3H-indol-5-yl)acetamide
CID 20933157
3-(4-fluorophenyl)-N-(1-methyl-2-oxo-3H-indol-5-yl)propanamide
CID 110777137
3-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)propanamide
CID 18195960
1-[(4-chlorophenyl)methyl]-3-(1-ethyl-2-oxo-3H-indol-5-yl)urea
CID 30375770
1-ethyl-5-(methylamino)-3H-indol-2-one
CID 82551072
N-[4-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)sulfamoyl]phenyl]butanamide
CID 20933594
N-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methylbenzenesulfonamide
CID 20933287
N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(4-methylsulfonylphenyl)propanamide
CID 91624485
1-(1-ethyl-2-oxo-3H-indol-5-yl)-3-thiophen-2-ylurea
CID 30375764
3-(4-methylphenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)propanamide
CID 110303774
2-chloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)benzamide
CID 27639248

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-2-oxo-3H-indol-5-yl)-3-(4-methylsulfonylphenyl)propanamide?
The IUPAC name of N-(1-ethyl-2-oxo-3H-indol-5-yl)-3-(4-methylsulfonylphenyl)propanamide (CID 91624454) is N-(1-ethyl-2-oxo-3H-indol-5-yl)-3-(4-methylsulfonylphenyl)propanamide.
What is the SMILES notation for N-(1-ethyl-2-oxo-3H-indol-5-yl)-3-(4-methylsulfonylphenyl)propanamide?
The canonical SMILES for N-(1-ethyl-2-oxo-3H-indol-5-yl)-3-(4-methylsulfonylphenyl)propanamide is CCN1C(=O)Cc2cc(NC(=O)CCc3ccc(S(C)(=O)=O)cc3)ccc21.
What is the InChIKey of N-(1-ethyl-2-oxo-3H-indol-5-yl)-3-(4-methylsulfonylphenyl)propanamide?
The InChIKey is IBISMFMHTSXMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-3-22-18-10-7-16(12-15(18)13-20(22)24)21-19(23)11-6-14-4-8-17(9-5-14)27(2,25)26/h4-5,7-10,12H,3,6,11,13H2,1-2H3,(H,21,23).
What are the key properties of N-(1-ethyl-2-oxo-3H-indol-5-yl)-3-(4-methylsulfonylphenyl)propanamide?
N-(1-ethyl-2-oxo-3H-indol-5-yl)-3-(4-methylsulfonylphenyl)propanamide has a molecular weight of 386.47 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-2-oxo-3H-indol-5-yl)-3-(4-methylsulfonylphenyl)propanamide is sourced from PubChem (CID 91624454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).