N-[(2S)-4-[(4S)-4-methylsulfonylazepan-1-yl]-4-oxobutan-2-yl]benzamide

C18H26N2O4S — CID 124875313

IUPACN-[(2S)-4-[(4S)-4-methylsulfonylazepan-1-yl]-4-oxobutan-2-yl]benzamide
SMILESC[C@@H](CC(=O)N1CCC[C@H](S(C)(=O)=O)CC1)NC(=O)c1ccccc1
InChIInChI=1S/C18H26N2O4S/c1-14(19-18(22)15-7-4-3-5-8-15)13-17(21)20-11-6-9-16(10-12-20)25(2,23)24/h3-5,7-8,14,16H,6,9-13H2,1-2H3,(H,19,22)/t14-,16-/m0/s1
InChIKeyANMIFRBHNGPFOW-HOCLYGCPSA-N
MW366.48 g/mol
LogP1.62
Rot. Bonds5

About N-[(2S)-4-[(4S)-4-methylsulfonylazepan-1-yl]-4-oxobutan-2-yl]benzamide

N-[(2S)-4-[(4S)-4-methylsulfonylazepan-1-yl]-4-oxobutan-2-yl]benzamide (PubChem CID 124875313) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is N-[(2S)-4-[(4S)-4-methylsulfonylazepan-1-yl]-4-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2S)-4-[(4S)-4-methylsulfonylazepan-1-yl]-4-oxobutan-2-yl]benzamide
PubChem CID124875313
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC NameN-[(2S)-4-[(4S)-4-methylsulfonylazepan-1-yl]-4-oxobutan-2-yl]benzamide
SMILESC[C@@H](CC(=O)N1CCC[C@H](S(C)(=O)=O)CC1)NC(=O)c1ccccc1
InChIInChI=1S/C18H26N2O4S/c1-14(19-18(22)15-7-4-3-5-8-15)13-17(21)20-11-6-9-16(10-12-20)25(2,23)24/h3-5,7-8,14,16H,6,9-13H2,1-2H3,(H,19,22)/t14-,16-/m0/s1
InChIKeyANMIFRBHNGPFOW-HOCLYGCPSA-N
XLogP1.62
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-benzoylpiperazin-1-yl)-4-oxobutan-2-yl]benzamide
CID 78804572
N-[4-oxo-4-[4-[2-oxo-2-(propan-2-ylamino)acetyl]piperazin-1-yl]butan-2-yl]benzamide
CID 47027675
4-(3-benzamidobutanoyl)-N,N-dimethylpiperazine-1-carboxamide
CID 86981010
N-[4-[4-[2-(cyclopropylamino)-2-oxoacetyl]piperazin-1-yl]-4-oxobutan-2-yl]benzamide
CID 55735695
tert-butyl N-[[1-(3-benzamidobutanoyl)piperidin-3-yl]methyl]-N-methylcarbamate
CID 47796330
N-[4-oxo-4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]butan-2-yl]benzamide
CID 46689755
N-[4-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-4-oxobutan-2-yl]benzamide
CID 24679878
N-[4-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-4-oxobutan-2-yl]benzamide
CID 46519790
(E)-2,3-bis[(2S)-2-benzamidopropyl]but-2-enedioic acid
CID 126482935
(E)-2,3-bis[(2R)-2-benzamidopropyl]but-2-enedioic acid
CID 126483406
N-[4-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-4-oxobutan-2-yl]benzamide
CID 46635876
N-[4-[2-(4-fluorophenyl)morpholin-4-yl]-4-oxobutan-2-yl]benzamide
CID 46579437

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-[(4S)-4-methylsulfonylazepan-1-yl]-4-oxobutan-2-yl]benzamide?
The IUPAC name of N-[(2S)-4-[(4S)-4-methylsulfonylazepan-1-yl]-4-oxobutan-2-yl]benzamide (CID 124875313) is N-[(2S)-4-[(4S)-4-methylsulfonylazepan-1-yl]-4-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[(2S)-4-[(4S)-4-methylsulfonylazepan-1-yl]-4-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[(2S)-4-[(4S)-4-methylsulfonylazepan-1-yl]-4-oxobutan-2-yl]benzamide is C[C@@H](CC(=O)N1CCC[C@H](S(C)(=O)=O)CC1)NC(=O)c1ccccc1.
What is the InChIKey of N-[(2S)-4-[(4S)-4-methylsulfonylazepan-1-yl]-4-oxobutan-2-yl]benzamide?
The InChIKey is ANMIFRBHNGPFOW-HOCLYGCPSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-14(19-18(22)15-7-4-3-5-8-15)13-17(21)20-11-6-9-16(10-12-20)25(2,23)24/h3-5,7-8,14,16H,6,9-13H2,1-2H3,(H,19,22)/t14-,16-/m0/s1.
What are the key properties of N-[(2S)-4-[(4S)-4-methylsulfonylazepan-1-yl]-4-oxobutan-2-yl]benzamide?
N-[(2S)-4-[(4S)-4-methylsulfonylazepan-1-yl]-4-oxobutan-2-yl]benzamide has a molecular weight of 366.48 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-[(4S)-4-methylsulfonylazepan-1-yl]-4-oxobutan-2-yl]benzamide is sourced from PubChem (CID 124875313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).