tert-butyl N-methyl-N-[2-[propan-2-yl(thieno[2,3-c]pyridine-2-carbonyl)amino]ethyl]carbamate

C19H27N3O3S — CID 138007724

IUPACtert-butyl N-methyl-N-[2-[propan-2-yl(thieno[2,3-c]pyridine-2-carbonyl)amino]ethyl]carbamate
SMILESCC(C)N(CCN(C)C(=O)OC(C)(C)C)C(=O)c1cc2ccncc2s1
InChIInChI=1S/C19H27N3O3S/c1-13(2)22(10-9-21(6)18(24)25-19(3,4)5)17(23)15-11-14-7-8-20-12-16(14)26-15/h7-8,11-13H,9-10H2,1-6H3
InChIKeyJDCFYRIZYNCEJD-UHFFFAOYSA-N
MW377.51 g/mol
LogP4.01
Rot. Bonds5

About tert-butyl N-methyl-N-[2-[propan-2-yl(thieno[2,3-c]pyridine-2-carbonyl)amino]ethyl]carbamate

tert-butyl N-methyl-N-[2-[propan-2-yl(thieno[2,3-c]pyridine-2-carbonyl)amino]ethyl]carbamate (PubChem CID 138007724) has the molecular formula C19H27N3O3S and a molecular weight of 377.51 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[2-[propan-2-yl(thieno[2,3-c]pyridine-2-carbonyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[2-[propan-2-yl(thieno[2,3-c]pyridine-2-carbonyl)amino]ethyl]carbamate
PubChem CID138007724
Molecular FormulaC19H27N3O3S
Molecular Weight377.51 g/mol
Exact Mass377.18
IUPAC Nametert-butyl N-methyl-N-[2-[propan-2-yl(thieno[2,3-c]pyridine-2-carbonyl)amino]ethyl]carbamate
SMILESCC(C)N(CCN(C)C(=O)OC(C)(C)C)C(=O)c1cc2ccncc2s1
InChIInChI=1S/C19H27N3O3S/c1-13(2)22(10-9-21(6)18(24)25-19(3,4)5)17(23)15-11-14-7-8-20-12-16(14)26-15/h7-8,11-13H,9-10H2,1-6H3
InChIKeyJDCFYRIZYNCEJD-UHFFFAOYSA-N
XLogP4.01
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[2-[propan-2-yl(thieno[2,3-c]pyridine-2-carbonyl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[2-[propan-2-yl(thieno[2,3-c]pyridine-2-carbonyl)amino]ethyl]carbamate (CID 138007724) is tert-butyl N-methyl-N-[2-[propan-2-yl(thieno[2,3-c]pyridine-2-carbonyl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[2-[propan-2-yl(thieno[2,3-c]pyridine-2-carbonyl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[2-[propan-2-yl(thieno[2,3-c]pyridine-2-carbonyl)amino]ethyl]carbamate is CC(C)N(CCN(C)C(=O)OC(C)(C)C)C(=O)c1cc2ccncc2s1.
What is the InChIKey of tert-butyl N-methyl-N-[2-[propan-2-yl(thieno[2,3-c]pyridine-2-carbonyl)amino]ethyl]carbamate?
The InChIKey is JDCFYRIZYNCEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3S/c1-13(2)22(10-9-21(6)18(24)25-19(3,4)5)17(23)15-11-14-7-8-20-12-16(14)26-15/h7-8,11-13H,9-10H2,1-6H3.
What are the key properties of tert-butyl N-methyl-N-[2-[propan-2-yl(thieno[2,3-c]pyridine-2-carbonyl)amino]ethyl]carbamate?
tert-butyl N-methyl-N-[2-[propan-2-yl(thieno[2,3-c]pyridine-2-carbonyl)amino]ethyl]carbamate has a molecular weight of 377.51 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[2-[propan-2-yl(thieno[2,3-c]pyridine-2-carbonyl)amino]ethyl]carbamate is sourced from PubChem (CID 138007724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).