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

C23H27N3O4S — CID 20910036

IUPACN-(2-ethoxyphenyl)-2-[methyl(6,7,8,9-tetrahydro-5H-carbazol-3-ylsulfonyl)amino]acetamide
SMILESCCOc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C23H27N3O4S/c1-3-30-22-11-7-6-10-21(22)25-23(27)15-26(2)31(28,29)16-12-13-20-18(14-16)17-8-4-5-9-19(17)24-20/h6-7,10-14,24H,3-5,8-9,15H2,1-2H3,(H,25,27)
InChIKeyFIDBAEKCVOZBFB-UHFFFAOYSA-N
MW441.55 g/mol
LogP3.70
Rot. Bonds7

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

N-(2-ethoxyphenyl)-2-[methyl(6,7,8,9-tetrahydro-5H-carbazol-3-ylsulfonyl)amino]acetamide (PubChem CID 20910036) has the molecular formula C23H27N3O4S and a molecular weight of 441.55 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[methyl(6,7,8,9-tetrahydro-5H-carbazol-3-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-[methyl(6,7,8,9-tetrahydro-5H-carbazol-3-ylsulfonyl)amino]acetamide
PubChem CID20910036
Molecular FormulaC23H27N3O4S
Molecular Weight441.55 g/mol
Exact Mass441.17
IUPAC NameN-(2-ethoxyphenyl)-2-[methyl(6,7,8,9-tetrahydro-5H-carbazol-3-ylsulfonyl)amino]acetamide
SMILESCCOc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C23H27N3O4S/c1-3-30-22-11-7-6-10-21(22)25-23(27)15-26(2)31(28,29)16-12-13-20-18(14-16)17-8-4-5-9-19(17)24-20/h6-7,10-14,24H,3-5,8-9,15H2,1-2H3,(H,25,27)
InChIKeyFIDBAEKCVOZBFB-UHFFFAOYSA-N
XLogP3.70
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 53.70
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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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-[methyl(6,7,8,9-tetrahydro-5H-carbazol-3-ylsulfonyl)amino]acetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-[methyl(6,7,8,9-tetrahydro-5H-carbazol-3-ylsulfonyl)amino]acetamide (CID 20910036) is N-(2-ethoxyphenyl)-2-[methyl(6,7,8,9-tetrahydro-5H-carbazol-3-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-[methyl(6,7,8,9-tetrahydro-5H-carbazol-3-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-[methyl(6,7,8,9-tetrahydro-5H-carbazol-3-ylsulfonyl)amino]acetamide is CCOc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc2[nH]c3c(c2c1)CCCC3.
What is the InChIKey of N-(2-ethoxyphenyl)-2-[methyl(6,7,8,9-tetrahydro-5H-carbazol-3-ylsulfonyl)amino]acetamide?
The InChIKey is FIDBAEKCVOZBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4S/c1-3-30-22-11-7-6-10-21(22)25-23(27)15-26(2)31(28,29)16-12-13-20-18(14-16)17-8-4-5-9-19(17)24-20/h6-7,10-14,24H,3-5,8-9,15H2,1-2H3,(H,25,27).
What are the key properties of N-(2-ethoxyphenyl)-2-[methyl(6,7,8,9-tetrahydro-5H-carbazol-3-ylsulfonyl)amino]acetamide?
N-(2-ethoxyphenyl)-2-[methyl(6,7,8,9-tetrahydro-5H-carbazol-3-ylsulfonyl)amino]acetamide has a molecular weight of 441.55 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-[methyl(6,7,8,9-tetrahydro-5H-carbazol-3-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 20910036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).