ethyl N-[2-[[5-(piperidine-1-carbonyl)thiophene-2-carbonyl]amino]thiophene-3-carbonyl]carbamate

C19H21N3O5S2 — CID 164626854

IUPACethyl N-[2-[[5-(piperidine-1-carbonyl)thiophene-2-carbonyl]amino]thiophene-3-carbonyl]carbamate
SMILESCCOC(=O)NC(=O)c1ccsc1NC(=O)c1ccc(C(=O)N2CCCCC2)s1
InChIInChI=1S/C19H21N3O5S2/c1-2-27-19(26)21-15(23)12-8-11-28-17(12)20-16(24)13-6-7-14(29-13)18(25)22-9-4-3-5-10-22/h6-8,11H,2-5,9-10H2,1H3,(H,20,24)(H,21,23,26)
InChIKeyUGCZTGGPAWCKBQ-UHFFFAOYSA-N
MW435.53 g/mol
LogP3.57
Rot. Bonds5

About ethyl N-[2-[[5-(piperidine-1-carbonyl)thiophene-2-carbonyl]amino]thiophene-3-carbonyl]carbamate

ethyl N-[2-[[5-(piperidine-1-carbonyl)thiophene-2-carbonyl]amino]thiophene-3-carbonyl]carbamate (PubChem CID 164626854) has the molecular formula C19H21N3O5S2 and a molecular weight of 435.53 g/mol. Its IUPAC name is ethyl N-[2-[[5-(piperidine-1-carbonyl)thiophene-2-carbonyl]amino]thiophene-3-carbonyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[[5-(piperidine-1-carbonyl)thiophene-2-carbonyl]amino]thiophene-3-carbonyl]carbamate
PubChem CID164626854
Molecular FormulaC19H21N3O5S2
Molecular Weight435.53 g/mol
Exact Mass435.09
IUPAC Nameethyl N-[2-[[5-(piperidine-1-carbonyl)thiophene-2-carbonyl]amino]thiophene-3-carbonyl]carbamate
SMILESCCOC(=O)NC(=O)c1ccsc1NC(=O)c1ccc(C(=O)N2CCCCC2)s1
InChIInChI=1S/C19H21N3O5S2/c1-2-27-19(26)21-15(23)12-8-11-28-17(12)20-16(24)13-6-7-14(29-13)18(25)22-9-4-3-5-10-22/h6-8,11H,2-5,9-10H2,1H3,(H,20,24)(H,21,23,26)
InChIKeyUGCZTGGPAWCKBQ-UHFFFAOYSA-N
XLogP3.57
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[[5-(piperidine-1-carbonyl)thiophene-2-carbonyl]amino]thiophene-3-carbonyl]carbamate?
The IUPAC name of ethyl N-[2-[[5-(piperidine-1-carbonyl)thiophene-2-carbonyl]amino]thiophene-3-carbonyl]carbamate (CID 164626854) is ethyl N-[2-[[5-(piperidine-1-carbonyl)thiophene-2-carbonyl]amino]thiophene-3-carbonyl]carbamate.
What is the SMILES notation for ethyl N-[2-[[5-(piperidine-1-carbonyl)thiophene-2-carbonyl]amino]thiophene-3-carbonyl]carbamate?
The canonical SMILES for ethyl N-[2-[[5-(piperidine-1-carbonyl)thiophene-2-carbonyl]amino]thiophene-3-carbonyl]carbamate is CCOC(=O)NC(=O)c1ccsc1NC(=O)c1ccc(C(=O)N2CCCCC2)s1.
What is the InChIKey of ethyl N-[2-[[5-(piperidine-1-carbonyl)thiophene-2-carbonyl]amino]thiophene-3-carbonyl]carbamate?
The InChIKey is UGCZTGGPAWCKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5S2/c1-2-27-19(26)21-15(23)12-8-11-28-17(12)20-16(24)13-6-7-14(29-13)18(25)22-9-4-3-5-10-22/h6-8,11H,2-5,9-10H2,1H3,(H,20,24)(H,21,23,26).
What are the key properties of ethyl N-[2-[[5-(piperidine-1-carbonyl)thiophene-2-carbonyl]amino]thiophene-3-carbonyl]carbamate?
ethyl N-[2-[[5-(piperidine-1-carbonyl)thiophene-2-carbonyl]amino]thiophene-3-carbonyl]carbamate has a molecular weight of 435.53 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[[5-(piperidine-1-carbonyl)thiophene-2-carbonyl]amino]thiophene-3-carbonyl]carbamate is sourced from PubChem (CID 164626854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).