3-(methanesulfonamido)-4-methyl-N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]benzamide

C20H24N2O3S — CID 68792799

IUPAC3-(methanesulfonamido)-4-methyl-N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]benzamide
SMILESCc1ccc(C(=O)N[C@H]2CCCc3ccccc3C2)cc1NS(C)(=O)=O
InChIInChI=1S/C20H24N2O3S/c1-14-10-11-17(13-19(14)22-26(2,24)25)20(23)21-18-9-5-8-15-6-3-4-7-16(15)12-18/h3-4,6-7,10-11,13,18,22H,5,8-9,12H2,1-2H3,(H,21,23)/t18-/m0/s1
InChIKeyKUFORLRAFWDSHO-SFHVURJKSA-N
MW372.49 g/mol
LogP3.04
Rot. Bonds4

About 3-(methanesulfonamido)-4-methyl-N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]benzamide

3-(methanesulfonamido)-4-methyl-N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]benzamide (PubChem CID 68792799) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 3-(methanesulfonamido)-4-methyl-N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]benzamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-4-methyl-N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]benzamide
PubChem CID68792799
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name3-(methanesulfonamido)-4-methyl-N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]benzamide
SMILESCc1ccc(C(=O)N[C@H]2CCCc3ccccc3C2)cc1NS(C)(=O)=O
InChIInChI=1S/C20H24N2O3S/c1-14-10-11-17(13-19(14)22-26(2,24)25)20(23)21-18-9-5-8-15-6-3-4-7-16(15)12-18/h3-4,6-7,10-11,13,18,22H,5,8-9,12H2,1-2H3,(H,21,23)/t18-/m0/s1
InChIKeyKUFORLRAFWDSHO-SFHVURJKSA-N
XLogP3.04
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(methanesulfonamido)-4-methyl-N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]benzamide with MolForge

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Related Compounds

N-cyclooctyl-3-(methanesulfonamido)-4-methylbenzamide
CID 41467295
3-(methanesulfonamido)-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide
CID 134044129
3-(methanesulfonamido)-4-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 53281831
2-methyl-5-methylsulfonyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)benzamide
CID 23509730
N-cyclopentyl-4-(methanesulfonamido)-3-methylbenzamide
CID 41466640
4-bromo-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)benzamide
CID 23509717
3-(benzenesulfonamido)-N-cycloheptyl-4-methylbenzamide
CID 19062561
3-(benzenesulfonamido)-N-cyclooctyl-4-methylbenzamide
CID 19062588
N-(2-tert-butylcyclohexyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 55582577
3-(methanesulfonamido)-4-methyl-N-(5-oxopyrrolidin-3-yl)benzamide
CID 136521548
N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-3H-benzimidazole-5-carboxamide
CID 91394335
2,3-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)quinoxaline-6-carboxamide
CID 71902026

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-4-methyl-N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]benzamide?
The IUPAC name of 3-(methanesulfonamido)-4-methyl-N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]benzamide (CID 68792799) is 3-(methanesulfonamido)-4-methyl-N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]benzamide.
What is the SMILES notation for 3-(methanesulfonamido)-4-methyl-N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]benzamide?
The canonical SMILES for 3-(methanesulfonamido)-4-methyl-N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]benzamide is Cc1ccc(C(=O)N[C@H]2CCCc3ccccc3C2)cc1NS(C)(=O)=O.
What is the InChIKey of 3-(methanesulfonamido)-4-methyl-N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]benzamide?
The InChIKey is KUFORLRAFWDSHO-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-14-10-11-17(13-19(14)22-26(2,24)25)20(23)21-18-9-5-8-15-6-3-4-7-16(15)12-18/h3-4,6-7,10-11,13,18,22H,5,8-9,12H2,1-2H3,(H,21,23)/t18-/m0/s1.
What are the key properties of 3-(methanesulfonamido)-4-methyl-N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]benzamide?
3-(methanesulfonamido)-4-methyl-N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]benzamide has a molecular weight of 372.49 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-4-methyl-N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]benzamide is sourced from PubChem (CID 68792799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).