7-ethyl-N,N-dimethyl-5-(2-methylphenyl)-2,3-dihydrothieno[2,3-e][1,4]diazepine-1-carboxamide

C19H23N3OS — CID 13251432

IUPAC7-ethyl-N,N-dimethyl-5-(2-methylphenyl)-2,3-dihydrothieno[2,3-e][1,4]diazepine-1-carboxamide
SMILESCCc1cc2c(s1)N(C(=O)N(C)C)CCN=C2c1ccccc1C
InChIInChI=1S/C19H23N3OS/c1-5-14-12-16-17(15-9-7-6-8-13(15)2)20-10-11-22(18(16)24-14)19(23)21(3)4/h6-9,12H,5,10-11H2,1-4H3
InChIKeyXNJHYYYDFBETJA-UHFFFAOYSA-N
MW341.48 g/mol
LogP3.96
Rot. Bonds2

About 7-ethyl-N,N-dimethyl-5-(2-methylphenyl)-2,3-dihydrothieno[2,3-e][1,4]diazepine-1-carboxamide

7-ethyl-N,N-dimethyl-5-(2-methylphenyl)-2,3-dihydrothieno[2,3-e][1,4]diazepine-1-carboxamide (PubChem CID 13251432) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is 7-ethyl-N,N-dimethyl-5-(2-methylphenyl)-2,3-dihydrothieno[2,3-e][1,4]diazepine-1-carboxamide.

Molecular Properties

Compound Name7-ethyl-N,N-dimethyl-5-(2-methylphenyl)-2,3-dihydrothieno[2,3-e][1,4]diazepine-1-carboxamide
PubChem CID13251432
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC Name7-ethyl-N,N-dimethyl-5-(2-methylphenyl)-2,3-dihydrothieno[2,3-e][1,4]diazepine-1-carboxamide
SMILESCCc1cc2c(s1)N(C(=O)N(C)C)CCN=C2c1ccccc1C
InChIInChI=1S/C19H23N3OS/c1-5-14-12-16-17(15-9-7-6-8-13(15)2)20-10-11-22(18(16)24-14)19(23)21(3)4/h6-9,12H,5,10-11H2,1-4H3
InChIKeyXNJHYYYDFBETJA-UHFFFAOYSA-N
XLogP3.96
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-N,N-dimethyl-5-(2-methylphenyl)-2,3-dihydrothieno[2,3-e][1,4]diazepine-1-carboxamide?
The IUPAC name of 7-ethyl-N,N-dimethyl-5-(2-methylphenyl)-2,3-dihydrothieno[2,3-e][1,4]diazepine-1-carboxamide (CID 13251432) is 7-ethyl-N,N-dimethyl-5-(2-methylphenyl)-2,3-dihydrothieno[2,3-e][1,4]diazepine-1-carboxamide.
What is the SMILES notation for 7-ethyl-N,N-dimethyl-5-(2-methylphenyl)-2,3-dihydrothieno[2,3-e][1,4]diazepine-1-carboxamide?
The canonical SMILES for 7-ethyl-N,N-dimethyl-5-(2-methylphenyl)-2,3-dihydrothieno[2,3-e][1,4]diazepine-1-carboxamide is CCc1cc2c(s1)N(C(=O)N(C)C)CCN=C2c1ccccc1C.
What is the InChIKey of 7-ethyl-N,N-dimethyl-5-(2-methylphenyl)-2,3-dihydrothieno[2,3-e][1,4]diazepine-1-carboxamide?
The InChIKey is XNJHYYYDFBETJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS/c1-5-14-12-16-17(15-9-7-6-8-13(15)2)20-10-11-22(18(16)24-14)19(23)21(3)4/h6-9,12H,5,10-11H2,1-4H3.
What are the key properties of 7-ethyl-N,N-dimethyl-5-(2-methylphenyl)-2,3-dihydrothieno[2,3-e][1,4]diazepine-1-carboxamide?
7-ethyl-N,N-dimethyl-5-(2-methylphenyl)-2,3-dihydrothieno[2,3-e][1,4]diazepine-1-carboxamide has a molecular weight of 341.48 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-N,N-dimethyl-5-(2-methylphenyl)-2,3-dihydrothieno[2,3-e][1,4]diazepine-1-carboxamide is sourced from PubChem (CID 13251432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).