N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

C22H29N3O5S — CID 39910650

IUPACN-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2[nH]c3c(c2C)C(=O)CCC3)cc1S(=O)(=O)N(CC)CC
InChIInChI=1S/C22H29N3O5S/c1-5-25(6-2)31(28,29)19-13-15(11-12-18(19)30-7-3)23-22(27)21-14(4)20-16(24-21)9-8-10-17(20)26/h11-13,24H,5-10H2,1-4H3,(H,23,27)
InChIKeyMILZPACDYCBJPQ-UHFFFAOYSA-N
MW447.56 g/mol
LogP3.52
Rot. Bonds8

About N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (PubChem CID 39910650) has the molecular formula C22H29N3O5S and a molecular weight of 447.56 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
PubChem CID39910650
Molecular FormulaC22H29N3O5S
Molecular Weight447.56 g/mol
Exact Mass447.18
IUPAC NameN-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2[nH]c3c(c2C)C(=O)CCC3)cc1S(=O)(=O)N(CC)CC
InChIInChI=1S/C22H29N3O5S/c1-5-25(6-2)31(28,29)19-13-15(11-12-18(19)30-7-3)23-22(27)21-14(4)20-16(24-21)9-8-10-17(20)26/h11-13,24H,5-10H2,1-4H3,(H,23,27)
InChIKeyMILZPACDYCBJPQ-UHFFFAOYSA-N
XLogP3.52
TPSA108.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-[[3-(diethylsulfamoyl)-4-ethoxyphenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 42025091
N-[4-(4-ethoxyphenoxy)phenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 24575649
ethyl 4-[[3-(diethylsulfamoyl)-4-ethoxyphenyl]carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 17492838
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 9224061
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3,5-difluorobenzamide
CID 8796668
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methylbut-2-enamide
CID 31541629
ethyl 5-[[3-(dimethylsulfamoyl)-4-ethoxyphenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 17414941
2-(cyclopropylmethylamino)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]acetamide
CID 119686493
4-bromo-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2,5-dimethylfuran-3-carboxamide
CID 55606313
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 9224063
N-[2-[3-(diethylsulfamoyl)-4-ethoxyanilino]-2-oxoethyl]benzamide
CID 55349891
propan-2-yl 5-[[3-(dimethylsulfamoyl)-4-ethoxyphenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 26816678

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The IUPAC name of N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (CID 39910650) is N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is CCOc1ccc(NC(=O)c2[nH]c3c(c2C)C(=O)CCC3)cc1S(=O)(=O)N(CC)CC.
What is the InChIKey of N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The InChIKey is MILZPACDYCBJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5S/c1-5-25(6-2)31(28,29)19-13-15(11-12-18(19)30-7-3)23-22(27)21-14(4)20-16(24-21)9-8-10-17(20)26/h11-13,24H,5-10H2,1-4H3,(H,23,27).
What are the key properties of N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide has a molecular weight of 447.56 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is sourced from PubChem (CID 39910650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).