benzyl N-(2-oxo-5-phenyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-3-yl)carbamate

C21H17N3O3S — CID 146681902

IUPACbenzyl N-(2-oxo-5-phenyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-3-yl)carbamate
SMILESO=C(NC1N=C(c2ccccc2)c2ccsc2NC1=O)OCc1ccccc1
InChIInChI=1S/C21H17N3O3S/c25-19-18(23-21(26)27-13-14-7-3-1-4-8-14)22-17(15-9-5-2-6-10-15)16-11-12-28-20(16)24-19/h1-12,18H,13H2,(H,23,26)(H,24,25)
InChIKeyYRRVPFDZNVUVCI-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.79
Rot. Bonds4

About benzyl N-(2-oxo-5-phenyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-3-yl)carbamate

benzyl N-(2-oxo-5-phenyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-3-yl)carbamate (PubChem CID 146681902) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is benzyl N-(2-oxo-5-phenyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-3-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2-oxo-5-phenyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-3-yl)carbamate
PubChem CID146681902
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC Namebenzyl N-(2-oxo-5-phenyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-3-yl)carbamate
SMILESO=C(NC1N=C(c2ccccc2)c2ccsc2NC1=O)OCc1ccccc1
InChIInChI=1S/C21H17N3O3S/c25-19-18(23-21(26)27-13-14-7-3-1-4-8-14)22-17(15-9-5-2-6-10-15)16-11-12-28-20(16)24-19/h1-12,18H,13H2,(H,23,26)(H,24,25)
InChIKeyYRRVPFDZNVUVCI-UHFFFAOYSA-N
XLogP3.79
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)carbamate;hydrate
CID 22354565
benzyl N-[(3S)-5-(4-methylphenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamate
CID 67082288
benzyl N-[(3S)-7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamate
CID 67082261
benzyl N-(5-ethyl-9-methyl-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl)carbamate
CID 135503838
benzyl N-[2-oxo-1-(3-oxopropyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamate
CID 57396194
benzyl N-(1-methyl-2-oxo-5-pyridin-4-yl-3H-1,4-benzodiazepin-3-yl)carbamate
CID 10250373
benzyl N-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamate
CID 10323557
2-amino-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-2-phenylacetamide
CID 66755771
2-hydroxy-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide
CID 5279184
N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-1,2-oxazole-5-carboxamide
CID 10043226
(4-fluorophenyl)methyl N-(1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl)carbamate
CID 52934122
benzyl N-[1-(2,2-dimethylpropanehydrazonoyl)-2-methylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamate
CID 88945522

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-oxo-5-phenyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-3-yl)carbamate?
The IUPAC name of benzyl N-(2-oxo-5-phenyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-3-yl)carbamate (CID 146681902) is benzyl N-(2-oxo-5-phenyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-3-yl)carbamate.
What is the SMILES notation for benzyl N-(2-oxo-5-phenyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-3-yl)carbamate?
The canonical SMILES for benzyl N-(2-oxo-5-phenyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-3-yl)carbamate is O=C(NC1N=C(c2ccccc2)c2ccsc2NC1=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(2-oxo-5-phenyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-3-yl)carbamate?
The InChIKey is YRRVPFDZNVUVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S/c25-19-18(23-21(26)27-13-14-7-3-1-4-8-14)22-17(15-9-5-2-6-10-15)16-11-12-28-20(16)24-19/h1-12,18H,13H2,(H,23,26)(H,24,25).
What are the key properties of benzyl N-(2-oxo-5-phenyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-3-yl)carbamate?
benzyl N-(2-oxo-5-phenyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-3-yl)carbamate has a molecular weight of 391.45 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-oxo-5-phenyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-3-yl)carbamate is sourced from PubChem (CID 146681902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).