N-(9H-fluoren-2-yl)-7-methyl-1-oxo-1,4-thiazepane-4-carboxamide

C20H22N2O2S — CID 167820157

IUPACN-(9H-fluoren-2-yl)-7-methyl-1-oxo-1,4-thiazepane-4-carboxamide
SMILESCC1CCN(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)CCS1=O
InChIInChI=1S/C20H22N2O2S/c1-14-8-9-22(10-11-25(14)24)20(23)21-17-6-7-19-16(13-17)12-15-4-2-3-5-18(15)19/h2-7,13-14H,8-12H2,1H3,(H,21,23)
InChIKeyQZGYMUZUDLFEBB-UHFFFAOYSA-N
MW354.47 g/mol
LogP3.63
Rot. Bonds1

About N-(9H-fluoren-2-yl)-7-methyl-1-oxo-1,4-thiazepane-4-carboxamide

N-(9H-fluoren-2-yl)-7-methyl-1-oxo-1,4-thiazepane-4-carboxamide (PubChem CID 167820157) has the molecular formula C20H22N2O2S and a molecular weight of 354.47 g/mol. Its IUPAC name is N-(9H-fluoren-2-yl)-7-methyl-1-oxo-1,4-thiazepane-4-carboxamide.

Molecular Properties

Compound NameN-(9H-fluoren-2-yl)-7-methyl-1-oxo-1,4-thiazepane-4-carboxamide
PubChem CID167820157
Molecular FormulaC20H22N2O2S
Molecular Weight354.47 g/mol
Exact Mass354.14
IUPAC NameN-(9H-fluoren-2-yl)-7-methyl-1-oxo-1,4-thiazepane-4-carboxamide
SMILESCC1CCN(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)CCS1=O
InChIInChI=1S/C20H22N2O2S/c1-14-8-9-22(10-11-25(14)24)20(23)21-17-6-7-19-16(13-17)12-15-4-2-3-5-18(15)19/h2-7,13-14H,8-12H2,1H3,(H,21,23)
InChIKeyQZGYMUZUDLFEBB-UHFFFAOYSA-N
XLogP3.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,7R)-7-methyl-N-(4-nitrophenyl)-1-oxo-1,4-thiazepane-4-carboxamide
CID 124844078
(1S,7R)-N-(2-fluoro-4-methylphenyl)-7-methyl-1-oxo-1,4-thiazepane-4-carboxamide
CID 124885359
(1R,7S)-7-methyl-1-oxo-N-[2-(thiomorpholin-4-ylmethyl)phenyl]-1,4-thiazepane-4-carboxamide
CID 124741952
1-(9H-fluoren-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 75418599
N-(9H-fluoren-2-ylcarbamothioyl)acetamide
CID 17099951
4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-carboxamide
CID 79163467
(7-methyl-1-oxo-1,4-thiazepan-4-yl)-(3-phenoxyphenyl)methanone
CID 166228281
(3R)-N-(2,3-dihydro-1H-inden-5-yl)-3-hydroxypyrrolidine-1-carboxamide
CID 111431168
3-(cyclopropanecarbonylamino)-N-(9H-fluoren-2-yl)benzamide
CID 34074777
1-[(3,4-diethylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122088784
2-fluoro-4-[(4-methylpiperidine-1-carbonyl)amino]benzoic acid
CID 107793053
N-(4-chloro-3-fluorophenyl)-4-methylpiperidine-1-carboxamide
CID 113223585

Frequently Asked Questions

What is the IUPAC name of N-(9H-fluoren-2-yl)-7-methyl-1-oxo-1,4-thiazepane-4-carboxamide?
The IUPAC name of N-(9H-fluoren-2-yl)-7-methyl-1-oxo-1,4-thiazepane-4-carboxamide (CID 167820157) is N-(9H-fluoren-2-yl)-7-methyl-1-oxo-1,4-thiazepane-4-carboxamide.
What is the SMILES notation for N-(9H-fluoren-2-yl)-7-methyl-1-oxo-1,4-thiazepane-4-carboxamide?
The canonical SMILES for N-(9H-fluoren-2-yl)-7-methyl-1-oxo-1,4-thiazepane-4-carboxamide is CC1CCN(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)CCS1=O.
What is the InChIKey of N-(9H-fluoren-2-yl)-7-methyl-1-oxo-1,4-thiazepane-4-carboxamide?
The InChIKey is QZGYMUZUDLFEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-14-8-9-22(10-11-25(14)24)20(23)21-17-6-7-19-16(13-17)12-15-4-2-3-5-18(15)19/h2-7,13-14H,8-12H2,1H3,(H,21,23).
What are the key properties of N-(9H-fluoren-2-yl)-7-methyl-1-oxo-1,4-thiazepane-4-carboxamide?
N-(9H-fluoren-2-yl)-7-methyl-1-oxo-1,4-thiazepane-4-carboxamide has a molecular weight of 354.47 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9H-fluoren-2-yl)-7-methyl-1-oxo-1,4-thiazepane-4-carboxamide is sourced from PubChem (CID 167820157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).