N-(3-chloro-4-pyridinyl)-N-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide

C19H15ClN2O2S — CID 56683542

IUPACN-(3-chloro-4-pyridinyl)-N-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide
SMILESCN(C(=O)c1cc2c(s1)-c1ccccc1OCC2)c1ccncc1Cl
InChIInChI=1S/C19H15ClN2O2S/c1-22(15-6-8-21-11-14(15)20)19(23)17-10-12-7-9-24-16-5-3-2-4-13(16)18(12)25-17/h2-6,8,10-11H,7,9H2,1H3
InChIKeyIMRADABYFNAOPH-UHFFFAOYSA-N
MW370.86 g/mol
LogP4.68
Rot. Bonds2

About N-(3-chloro-4-pyridinyl)-N-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide

N-(3-chloro-4-pyridinyl)-N-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide (PubChem CID 56683542) has the molecular formula C19H15ClN2O2S and a molecular weight of 370.86 g/mol. Its IUPAC name is N-(3-chloro-4-pyridinyl)-N-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-pyridinyl)-N-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide
PubChem CID56683542
Molecular FormulaC19H15ClN2O2S
Molecular Weight370.86 g/mol
Exact Mass370.05
IUPAC NameN-(3-chloro-4-pyridinyl)-N-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide
SMILESCN(C(=O)c1cc2c(s1)-c1ccccc1OCC2)c1ccncc1Cl
InChIInChI=1S/C19H15ClN2O2S/c1-22(15-6-8-21-11-14(15)20)19(23)17-10-12-7-9-24-16-5-3-2-4-13(16)18(12)25-17/h2-6,8,10-11H,7,9H2,1H3
InChIKeyIMRADABYFNAOPH-UHFFFAOYSA-N
XLogP4.68
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.86
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-pyridinyl)-N-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide?
The IUPAC name of N-(3-chloro-4-pyridinyl)-N-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide (CID 56683542) is N-(3-chloro-4-pyridinyl)-N-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-pyridinyl)-N-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-pyridinyl)-N-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide is CN(C(=O)c1cc2c(s1)-c1ccccc1OCC2)c1ccncc1Cl.
What is the InChIKey of N-(3-chloro-4-pyridinyl)-N-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide?
The InChIKey is IMRADABYFNAOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O2S/c1-22(15-6-8-21-11-14(15)20)19(23)17-10-12-7-9-24-16-5-3-2-4-13(16)18(12)25-17/h2-6,8,10-11H,7,9H2,1H3.
What are the key properties of N-(3-chloro-4-pyridinyl)-N-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide?
N-(3-chloro-4-pyridinyl)-N-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide has a molecular weight of 370.86 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-pyridinyl)-N-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide is sourced from PubChem (CID 56683542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).