N-(16-ethyl-8-thia-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaen-14-yl)-N-methylacetamide

C20H22N2OS — CID 5127540

IUPACN-(16-ethyl-8-thia-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaen-14-yl)-N-methylacetamide
SMILESCCC1CC(N(C)C(C)=O)c2cccc3c2N1c1ccccc1S3
InChIInChI=1S/C20H22N2OS/c1-4-14-12-17(21(3)13(2)23)15-8-7-11-19-20(15)22(14)16-9-5-6-10-18(16)24-19/h5-11,14,17H,4,12H2,1-3H3
InChIKeyFLMRZASPRFCHOT-UHFFFAOYSA-N
MW338.48 g/mol
LogP4.99
Rot. Bonds2

About N-(16-ethyl-8-thia-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaen-14-yl)-N-methylacetamide

N-(16-ethyl-8-thia-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaen-14-yl)-N-methylacetamide (PubChem CID 5127540) has the molecular formula C20H22N2OS and a molecular weight of 338.48 g/mol. Its IUPAC name is N-(16-ethyl-8-thia-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaen-14-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(16-ethyl-8-thia-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaen-14-yl)-N-methylacetamide
PubChem CID5127540
Molecular FormulaC20H22N2OS
Molecular Weight338.48 g/mol
Exact Mass338.15
IUPAC NameN-(16-ethyl-8-thia-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaen-14-yl)-N-methylacetamide
SMILESCCC1CC(N(C)C(C)=O)c2cccc3c2N1c1ccccc1S3
InChIInChI=1S/C20H22N2OS/c1-4-14-12-17(21(3)13(2)23)15-8-7-11-19-20(15)22(14)16-9-5-6-10-18(16)24-19/h5-11,14,17H,4,12H2,1-3H3
InChIKeyFLMRZASPRFCHOT-UHFFFAOYSA-N
XLogP4.99
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(16-ethyl-8-thia-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaen-14-yl)-N-methylacetamide with MolForge

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Related Compounds

(14R,16R)-14-ethoxy-16-ethyl-8-thia-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaene
CID 10757439
1-(dimethylamino)-N-ethylphenothiazine-10-carboxamide
CID 170311642
1-(diethylamino)phenothiazine-10-carboxylic acid
CID 137365111
1-ethylphenothiazine-10-carboxylic acid;hydrochloride
CID 174463458
10-(2-methylcyclopropyl)phenothiazine
CID 59112633
(1Z)-1-[3-[(Z)-pent-2-en-3-yl]-1,3-benzothiazol-2-ylidene]propan-2-one
CID 15063154
N-[(2R,4S)-2-ethyl-1-(3-methoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 10387869
1-phenothiazin-10-yl-2-pyrrolidin-1-ium-1-ylethanone
CID 6955810
N-methyl-N-(2-oxopyrrolidin-3-yl)-3-phenothiazin-10-ylpropanamide
CID 166187619
(4-ethylpiperazin-4-ium-1-yl)-phenothiazin-10-ylmethanone
CID 7368449
(2R,3R)-2,3-dihydroxybutanedioic acid;2-methyl-3-phenothiazin-10-yl-N,N-bis(trideuteriomethyl)propan-1-amine
CID 162642813
N-methyl-1-phenothiazin-10-yl-N-(trideuteriomethyl)propan-2-amine
CID 46219426

Frequently Asked Questions

What is the IUPAC name of N-(16-ethyl-8-thia-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaen-14-yl)-N-methylacetamide?
The IUPAC name of N-(16-ethyl-8-thia-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaen-14-yl)-N-methylacetamide (CID 5127540) is N-(16-ethyl-8-thia-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaen-14-yl)-N-methylacetamide.
What is the SMILES notation for N-(16-ethyl-8-thia-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaen-14-yl)-N-methylacetamide?
The canonical SMILES for N-(16-ethyl-8-thia-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaen-14-yl)-N-methylacetamide is CCC1CC(N(C)C(C)=O)c2cccc3c2N1c1ccccc1S3.
What is the InChIKey of N-(16-ethyl-8-thia-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaen-14-yl)-N-methylacetamide?
The InChIKey is FLMRZASPRFCHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2OS/c1-4-14-12-17(21(3)13(2)23)15-8-7-11-19-20(15)22(14)16-9-5-6-10-18(16)24-19/h5-11,14,17H,4,12H2,1-3H3.
What are the key properties of N-(16-ethyl-8-thia-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaen-14-yl)-N-methylacetamide?
N-(16-ethyl-8-thia-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaen-14-yl)-N-methylacetamide has a molecular weight of 338.48 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(16-ethyl-8-thia-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaen-14-yl)-N-methylacetamide is sourced from PubChem (CID 5127540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).