6-methyl-N-[3-(methylsulfonylmethyl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

C22H24N2O3S — CID 71685691

IUPAC6-methyl-N-[3-(methylsulfonylmethyl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESCC1CCc2[nH]c3c(C(=O)Nc4cccc(CS(C)(=O)=O)c4)cccc3c2C1
InChIInChI=1S/C22H24N2O3S/c1-14-9-10-20-19(11-14)17-7-4-8-18(21(17)24-20)22(25)23-16-6-3-5-15(12-16)13-28(2,26)27/h3-8,12,14,24H,9-11,13H2,1-2H3,(H,23,25)
InChIKeyNDVZGXRWAZPXLE-UHFFFAOYSA-N
MW396.51 g/mol
LogP4.09
Rot. Bonds4

About 6-methyl-N-[3-(methylsulfonylmethyl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

6-methyl-N-[3-(methylsulfonylmethyl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (PubChem CID 71685691) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is 6-methyl-N-[3-(methylsulfonylmethyl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[3-(methylsulfonylmethyl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
PubChem CID71685691
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC Name6-methyl-N-[3-(methylsulfonylmethyl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESCC1CCc2[nH]c3c(C(=O)Nc4cccc(CS(C)(=O)=O)c4)cccc3c2C1
InChIInChI=1S/C22H24N2O3S/c1-14-9-10-20-19(11-14)17-7-4-8-18(21(17)24-20)22(25)23-16-6-3-5-15(12-16)13-28(2,26)27/h3-8,12,14,24H,9-11,13H2,1-2H3,(H,23,25)
InChIKeyNDVZGXRWAZPXLE-UHFFFAOYSA-N
XLogP4.09
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(6R)-6-methyl-N-[[4-(methylsulfonylmethyl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 52535773
6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbohydrazide
CID 84613636
(6R)-N-[2-(methanesulfonamido)ethyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 38012087
6-methyl-N-pyridin-3-yl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 46437559
6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 60549922
(6R)-6-methyl-N-(3-pyrrolidin-1-ylpropyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 97023855
6-methyl-N-(3-pyrazin-2-yloxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 46431719
N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 55678676
N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 60555157
(6R)-N-[(2S)-5-hydroxypentan-2-yl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 97321534
ethyl 3-[[(6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl]amino]propanoate
CID 95253356
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 33230329

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[3-(methylsulfonylmethyl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The IUPAC name of 6-methyl-N-[3-(methylsulfonylmethyl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (CID 71685691) is 6-methyl-N-[3-(methylsulfonylmethyl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.
What is the SMILES notation for 6-methyl-N-[3-(methylsulfonylmethyl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The canonical SMILES for 6-methyl-N-[3-(methylsulfonylmethyl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is CC1CCc2[nH]c3c(C(=O)Nc4cccc(CS(C)(=O)=O)c4)cccc3c2C1.
What is the InChIKey of 6-methyl-N-[3-(methylsulfonylmethyl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The InChIKey is NDVZGXRWAZPXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-14-9-10-20-19(11-14)17-7-4-8-18(21(17)24-20)22(25)23-16-6-3-5-15(12-16)13-28(2,26)27/h3-8,12,14,24H,9-11,13H2,1-2H3,(H,23,25).
What are the key properties of 6-methyl-N-[3-(methylsulfonylmethyl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
6-methyl-N-[3-(methylsulfonylmethyl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide has a molecular weight of 396.51 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[3-(methylsulfonylmethyl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is sourced from PubChem (CID 71685691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).