2-[methyl(6,7,8,9-tetrahydro-5H-carbazol-3-ylsulfonyl)amino]-N-(oxolan-2-ylmethyl)acetamide

C20H27N3O4S — CID 20910024

IUPAC2-[methyl(6,7,8,9-tetrahydro-5H-carbazol-3-ylsulfonyl)amino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCN(CC(=O)NCC1CCCO1)S(=O)(=O)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C20H27N3O4S/c1-23(13-20(24)21-12-14-5-4-10-27-14)28(25,26)15-8-9-19-17(11-15)16-6-2-3-7-18(16)22-19/h8-9,11,14,22H,2-7,10,12-13H2,1H3,(H,21,24)
InChIKeyHIDKFNAMIHWDKL-UHFFFAOYSA-N
MW405.52 g/mol
LogP1.96
Rot. Bonds6

About 2-[methyl(6,7,8,9-tetrahydro-5H-carbazol-3-ylsulfonyl)amino]-N-(oxolan-2-ylmethyl)acetamide

2-[methyl(6,7,8,9-tetrahydro-5H-carbazol-3-ylsulfonyl)amino]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 20910024) has the molecular formula C20H27N3O4S and a molecular weight of 405.52 g/mol. Its IUPAC name is 2-[methyl(6,7,8,9-tetrahydro-5H-carbazol-3-ylsulfonyl)amino]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[methyl(6,7,8,9-tetrahydro-5H-carbazol-3-ylsulfonyl)amino]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID20910024
Molecular FormulaC20H27N3O4S
Molecular Weight405.52 g/mol
Exact Mass405.17
IUPAC Name2-[methyl(6,7,8,9-tetrahydro-5H-carbazol-3-ylsulfonyl)amino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCN(CC(=O)NCC1CCCO1)S(=O)(=O)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C20H27N3O4S/c1-23(13-20(24)21-12-14-5-4-10-27-14)28(25,26)15-8-9-19-17(11-15)16-6-2-3-7-18(16)22-19/h8-9,11,14,22H,2-7,10,12-13H2,1H3,(H,21,24)
InChIKeyHIDKFNAMIHWDKL-UHFFFAOYSA-N
XLogP1.96
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethylphenyl)-2-[methyl(6,7,8,9-tetrahydro-5H-carbazol-3-ylsulfonyl)amino]acetamide
CID 20910004
2-[(2,5-dimethylphenyl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 133255030
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7263423
6-methyl-N-(oxolan-2-ylmethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 4786373
ethyl 1-methyl-4-[methyl-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfamoyl]pyrrole-2-carboxylate
CID 46284021
2-[[2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 100559763
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 110335607
4-(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-4-oxo-N-(oxolan-2-ylmethyl)butanamide
CID 42648818
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 2897190
2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1073046
2-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl-methylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 93060674
2-[(4-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1327879

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(6,7,8,9-tetrahydro-5H-carbazol-3-ylsulfonyl)amino]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[methyl(6,7,8,9-tetrahydro-5H-carbazol-3-ylsulfonyl)amino]-N-(oxolan-2-ylmethyl)acetamide (CID 20910024) is 2-[methyl(6,7,8,9-tetrahydro-5H-carbazol-3-ylsulfonyl)amino]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[methyl(6,7,8,9-tetrahydro-5H-carbazol-3-ylsulfonyl)amino]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[methyl(6,7,8,9-tetrahydro-5H-carbazol-3-ylsulfonyl)amino]-N-(oxolan-2-ylmethyl)acetamide is CN(CC(=O)NCC1CCCO1)S(=O)(=O)c1ccc2[nH]c3c(c2c1)CCCC3.
What is the InChIKey of 2-[methyl(6,7,8,9-tetrahydro-5H-carbazol-3-ylsulfonyl)amino]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is HIDKFNAMIHWDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4S/c1-23(13-20(24)21-12-14-5-4-10-27-14)28(25,26)15-8-9-19-17(11-15)16-6-2-3-7-18(16)22-19/h8-9,11,14,22H,2-7,10,12-13H2,1H3,(H,21,24).
What are the key properties of 2-[methyl(6,7,8,9-tetrahydro-5H-carbazol-3-ylsulfonyl)amino]-N-(oxolan-2-ylmethyl)acetamide?
2-[methyl(6,7,8,9-tetrahydro-5H-carbazol-3-ylsulfonyl)amino]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 405.52 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(6,7,8,9-tetrahydro-5H-carbazol-3-ylsulfonyl)amino]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 20910024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).