N-[(1R)-1-[3-(6-oxo-5-propylbenzo[b][1,4]benzothiazepin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide

C27H24N4O3S — CID 92731214

IUPACN-[(1R)-1-[3-(6-oxo-5-propylbenzo[b][1,4]benzothiazepin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
SMILESCCCN1C(=O)c2ccccc2Sc2cc(-c3noc([C@@H](C)NC(=O)c4ccccc4)n3)ccc21
InChIInChI=1S/C27H24N4O3S/c1-3-15-31-21-14-13-19(16-23(21)35-22-12-8-7-11-20(22)27(31)33)24-29-26(34-30-24)17(2)28-25(32)18-9-5-4-6-10-18/h4-14,16-17H,3,15H2,1-2H3,(H,28,32)/t17-/m1/s1
InChIKeyIRKIDNNZSJXMDZ-QGZVFWFLSA-N
MW484.58 g/mol
LogP5.75
Rot. Bonds6

About N-[(1R)-1-[3-(6-oxo-5-propylbenzo[b][1,4]benzothiazepin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide

N-[(1R)-1-[3-(6-oxo-5-propylbenzo[b][1,4]benzothiazepin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide (PubChem CID 92731214) has the molecular formula C27H24N4O3S and a molecular weight of 484.58 g/mol. Its IUPAC name is N-[(1R)-1-[3-(6-oxo-5-propylbenzo[b][1,4]benzothiazepin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[(1R)-1-[3-(6-oxo-5-propylbenzo[b][1,4]benzothiazepin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
PubChem CID92731214
Molecular FormulaC27H24N4O3S
Molecular Weight484.58 g/mol
Exact Mass484.16
IUPAC NameN-[(1R)-1-[3-(6-oxo-5-propylbenzo[b][1,4]benzothiazepin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
SMILESCCCN1C(=O)c2ccccc2Sc2cc(-c3noc([C@@H](C)NC(=O)c4ccccc4)n3)ccc21
InChIInChI=1S/C27H24N4O3S/c1-3-15-31-21-14-13-19(16-23(21)35-22-12-8-7-11-20(22)27(31)33)24-29-26(34-30-24)17(2)28-25(32)18-9-5-4-6-10-18/h4-14,16-17H,3,15H2,1-2H3,(H,28,32)/t17-/m1/s1
InChIKeyIRKIDNNZSJXMDZ-QGZVFWFLSA-N
XLogP5.75
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.58
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1R)-1-[3-(6-oxo-5-propylbenzo[b][1,4]benzothiazepin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-1-[3-(5-ethyl-6-oxobenzo[b][1,4]benzothiazepin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 95075930
N-[1-[3-(5-cyclopropyl-6-oxobenzo[b][1,4]benzothiazepin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 50808303
2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]-5-propylbenzo[b][1,4]benzothiazepin-6-one
CID 53095501
N-[(1S)-1-[3-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 95092162
2-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-5-propylbenzo[b][1,4]benzothiazepin-6-one
CID 53095529
2-[5-[(E)-2-(2-chlorophenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-5-propylbenzo[b][1,4]benzothiazepin-6-one
CID 53095487
2-[5-[2-(4-methoxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]-5-propylbenzo[b][1,4]benzothiazepin-6-one
CID 53095497
N-[1-[3-(3-methyl-2-oxo-1-propylquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 53041991
N-[(2S)-1-[(5-ethyl-6-oxobenzo[b][1,4]benzothiazepin-2-yl)amino]-1-oxopropan-2-yl]benzamide
CID 95056166
2-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]-5-ethylbenzo[b][1,4]benzothiazepin-6-one
CID 53095444
2-[5-(5-bromofuran-2-yl)-1,2,4-oxadiazol-3-yl]-5-ethylbenzo[b][1,4]benzothiazepin-6-one
CID 53030977
N-[[3-(5-ethyl-6-oxobenzo[b][1,4]benzothiazepin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 53009522

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-(6-oxo-5-propylbenzo[b][1,4]benzothiazepin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The IUPAC name of N-[(1R)-1-[3-(6-oxo-5-propylbenzo[b][1,4]benzothiazepin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide (CID 92731214) is N-[(1R)-1-[3-(6-oxo-5-propylbenzo[b][1,4]benzothiazepin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide.
What is the SMILES notation for N-[(1R)-1-[3-(6-oxo-5-propylbenzo[b][1,4]benzothiazepin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The canonical SMILES for N-[(1R)-1-[3-(6-oxo-5-propylbenzo[b][1,4]benzothiazepin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide is CCCN1C(=O)c2ccccc2Sc2cc(-c3noc([C@@H](C)NC(=O)c4ccccc4)n3)ccc21.
What is the InChIKey of N-[(1R)-1-[3-(6-oxo-5-propylbenzo[b][1,4]benzothiazepin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The InChIKey is IRKIDNNZSJXMDZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C27H24N4O3S/c1-3-15-31-21-14-13-19(16-23(21)35-22-12-8-7-11-20(22)27(31)33)24-29-26(34-30-24)17(2)28-25(32)18-9-5-4-6-10-18/h4-14,16-17H,3,15H2,1-2H3,(H,28,32)/t17-/m1/s1.
What are the key properties of N-[(1R)-1-[3-(6-oxo-5-propylbenzo[b][1,4]benzothiazepin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
N-[(1R)-1-[3-(6-oxo-5-propylbenzo[b][1,4]benzothiazepin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide has a molecular weight of 484.58 g/mol, XLogP of 5.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[3-(6-oxo-5-propylbenzo[b][1,4]benzothiazepin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide is sourced from PubChem (CID 92731214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).