ethyl N-[10-[3-(4-methylpiperazin-1-yl)propanoyl]phenothiazin-2-yl]carbamate

C23H28N4O3S — CID 1393092

IUPACethyl N-[10-[3-(4-methylpiperazin-1-yl)propanoyl]phenothiazin-2-yl]carbamate
SMILESCCOC(=O)Nc1ccc2c(c1)N(C(=O)CCN1CCN(C)CC1)c1ccccc1S2
InChIInChI=1S/C23H28N4O3S/c1-3-30-23(29)24-17-8-9-21-19(16-17)27(18-6-4-5-7-20(18)31-21)22(28)10-11-26-14-12-25(2)13-15-26/h4-9,16H,3,10-15H2,1-2H3,(H,24,29)
InChIKeyONORYECFZPCHNK-UHFFFAOYSA-N
MW440.57 g/mol
LogP4.02
Rot. Bonds5

About ethyl N-[10-[3-(4-methylpiperazin-1-yl)propanoyl]phenothiazin-2-yl]carbamate

ethyl N-[10-[3-(4-methylpiperazin-1-yl)propanoyl]phenothiazin-2-yl]carbamate (PubChem CID 1393092) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is ethyl N-[10-[3-(4-methylpiperazin-1-yl)propanoyl]phenothiazin-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[10-[3-(4-methylpiperazin-1-yl)propanoyl]phenothiazin-2-yl]carbamate
PubChem CID1393092
Molecular FormulaC23H28N4O3S
Molecular Weight440.57 g/mol
Exact Mass440.19
IUPAC Nameethyl N-[10-[3-(4-methylpiperazin-1-yl)propanoyl]phenothiazin-2-yl]carbamate
SMILESCCOC(=O)Nc1ccc2c(c1)N(C(=O)CCN1CCN(C)CC1)c1ccccc1S2
InChIInChI=1S/C23H28N4O3S/c1-3-30-23(29)24-17-8-9-21-19(16-17)27(18-6-4-5-7-20(18)31-21)22(28)10-11-26-14-12-25(2)13-15-26/h4-9,16H,3,10-15H2,1-2H3,(H,24,29)
InChIKeyONORYECFZPCHNK-UHFFFAOYSA-N
XLogP4.02
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl N-[10-[3-(4-methylpiperazin-1-yl)propanoyl]phenothiazin-2-yl]carbamate with MolForge

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Related Compounds

[3-[2-(ethoxycarbonylamino)phenothiazin-10-yl]-3-oxopropyl]-diethylazanium chloride
CID 43834221
ethyl N-[11-(3-piperidin-1-ylpropanoyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate
CID 1129898
3-(4-methylpiperazin-1-yl)-1-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-one;dihydrochloride
CID 2834211
ethyl N-[10-(3-morpholin-4-ylpropanoyl)-5,5-dioxophenothiazin-2-yl]carbamate
CID 3083448
1-(2-chlorophenothiazin-10-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 121238698
2-(4-methylpiperazin-1-yl)-1-phenothiazin-10-ylethanone;hydrochloride
CID 2873620
1-(2-chlorophenothiazin-10-yl)-3-morpholin-4-ylpropan-1-one
CID 1304402
ethyl 2-(ethoxycarbonylamino)-5,6-dihydrobenzo[b][1]benzazepine-11-carboxylate
CID 2875816
ethyl N-(10H-phenothiazin-3-yl)carbamate
CID 15556094
N-[11-[3-(4-methylpiperazin-1-yl)propanoyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]-2-propylpentanamide;dihydrochloride
CID 2887985
ethyl N-(11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)carbamate
CID 110168366
ethyl N-[11-(3-chloropropanoyl)benzo[b][1]benzazepin-2-yl]carbamate
CID 3136468

Frequently Asked Questions

What is the IUPAC name of ethyl N-[10-[3-(4-methylpiperazin-1-yl)propanoyl]phenothiazin-2-yl]carbamate?
The IUPAC name of ethyl N-[10-[3-(4-methylpiperazin-1-yl)propanoyl]phenothiazin-2-yl]carbamate (CID 1393092) is ethyl N-[10-[3-(4-methylpiperazin-1-yl)propanoyl]phenothiazin-2-yl]carbamate.
What is the SMILES notation for ethyl N-[10-[3-(4-methylpiperazin-1-yl)propanoyl]phenothiazin-2-yl]carbamate?
The canonical SMILES for ethyl N-[10-[3-(4-methylpiperazin-1-yl)propanoyl]phenothiazin-2-yl]carbamate is CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCN1CCN(C)CC1)c1ccccc1S2.
What is the InChIKey of ethyl N-[10-[3-(4-methylpiperazin-1-yl)propanoyl]phenothiazin-2-yl]carbamate?
The InChIKey is ONORYECFZPCHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S/c1-3-30-23(29)24-17-8-9-21-19(16-17)27(18-6-4-5-7-20(18)31-21)22(28)10-11-26-14-12-25(2)13-15-26/h4-9,16H,3,10-15H2,1-2H3,(H,24,29).
What are the key properties of ethyl N-[10-[3-(4-methylpiperazin-1-yl)propanoyl]phenothiazin-2-yl]carbamate?
ethyl N-[10-[3-(4-methylpiperazin-1-yl)propanoyl]phenothiazin-2-yl]carbamate has a molecular weight of 440.57 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[10-[3-(4-methylpiperazin-1-yl)propanoyl]phenothiazin-2-yl]carbamate is sourced from PubChem (CID 1393092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).