1-acetyl-5-(diethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]-2,3-dihydroindole-2-carboxamide

C23H29N3O5S — CID 20956713

IUPAC1-acetyl-5-(diethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]-2,3-dihydroindole-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CC(C(=O)NCc1ccc(OC)cc1)N2C(C)=O
InChIInChI=1S/C23H29N3O5S/c1-5-25(6-2)32(29,30)20-11-12-21-18(13-20)14-22(26(21)16(3)27)23(28)24-15-17-7-9-19(31-4)10-8-17/h7-13,22H,5-6,14-15H2,1-4H3,(H,24,28)
InChIKeyUXBPZVDCCWVYFM-UHFFFAOYSA-N
MW459.57 g/mol
LogP2.32
Rot. Bonds8

About 1-acetyl-5-(diethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]-2,3-dihydroindole-2-carboxamide

1-acetyl-5-(diethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]-2,3-dihydroindole-2-carboxamide (PubChem CID 20956713) has the molecular formula C23H29N3O5S and a molecular weight of 459.57 g/mol. Its IUPAC name is 1-acetyl-5-(diethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-5-(diethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]-2,3-dihydroindole-2-carboxamide
PubChem CID20956713
Molecular FormulaC23H29N3O5S
Molecular Weight459.57 g/mol
Exact Mass459.18
IUPAC Name1-acetyl-5-(diethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]-2,3-dihydroindole-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CC(C(=O)NCc1ccc(OC)cc1)N2C(C)=O
InChIInChI=1S/C23H29N3O5S/c1-5-25(6-2)32(29,30)20-11-12-21-18(13-20)14-22(26(21)16(3)27)23(28)24-15-17-7-9-19(31-4)10-8-17/h7-13,22H,5-6,14-15H2,1-4H3,(H,24,28)
InChIKeyUXBPZVDCCWVYFM-UHFFFAOYSA-N
XLogP2.32
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-acetyl-N-[2-(diethylamino)ethyl]-5-(diethylsulfamoyl)-2,3-dihydroindole-2-carboxamide
CID 20956720
1-acetyl-N-[2-(4-chlorophenyl)ethyl]-5-(diethylsulfamoyl)-2,3-dihydroindole-2-carboxamide
CID 20956706
(2R)-1-acetyl-N-[3-(diethylamino)propyl]-5-(diethylsulfamoyl)-2,3-dihydroindole-2-carboxamide
CID 92710633
(2S)-1-acetyl-5-(diethylsulfamoyl)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,3-dihydroindole-2-carboxamide
CID 92710645
(2S)-1-acetyl-N-[(4-ethylphenyl)methyl]-2,3-dihydroindole-2-carboxamide
CID 92710280
N-[2-[4-(diethylsulfamoyl)phenyl]ethyl]-N'-[(4-methoxyphenyl)methyl]oxamide
CID 30126544
(2S)-1-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 99733833
1-acetyl-N-[(2-methoxyphenyl)methyl]-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide
CID 20956571
(2S)-N-[[4-(dimethylamino)phenyl]methyl]-5-piperidin-1-ylsulfonyl-1-propanoyl-2,3-dihydroindole-2-carboxamide
CID 92725537
1-acetyl-N-[(3-fluorophenyl)methyl]-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide
CID 20956504
1-acetyl-N-[(3-chlorophenyl)methyl]-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide
CID 20956401
1-acetyl-5-(azepan-1-ylsulfonyl)-N-(pyridin-3-ylmethyl)-2,3-dihydroindole-2-carboxamide
CID 20956780

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5-(diethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]-2,3-dihydroindole-2-carboxamide?
The IUPAC name of 1-acetyl-5-(diethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]-2,3-dihydroindole-2-carboxamide (CID 20956713) is 1-acetyl-5-(diethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for 1-acetyl-5-(diethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for 1-acetyl-5-(diethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]-2,3-dihydroindole-2-carboxamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)CC(C(=O)NCc1ccc(OC)cc1)N2C(C)=O.
What is the InChIKey of 1-acetyl-5-(diethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]-2,3-dihydroindole-2-carboxamide?
The InChIKey is UXBPZVDCCWVYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O5S/c1-5-25(6-2)32(29,30)20-11-12-21-18(13-20)14-22(26(21)16(3)27)23(28)24-15-17-7-9-19(31-4)10-8-17/h7-13,22H,5-6,14-15H2,1-4H3,(H,24,28).
What are the key properties of 1-acetyl-5-(diethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]-2,3-dihydroindole-2-carboxamide?
1-acetyl-5-(diethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]-2,3-dihydroindole-2-carboxamide has a molecular weight of 459.57 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-5-(diethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 20956713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).