tert-butyl N-methyl-N-[2-[methyl-[3-methyl-5-(methylamino)thiophene-2-carbonyl]amino]ethyl]carbamate

C16H27N3O3S — CID 86663473

IUPACtert-butyl N-methyl-N-[2-[methyl-[3-methyl-5-(methylamino)thiophene-2-carbonyl]amino]ethyl]carbamate
SMILESCNc1cc(C)c(C(=O)N(C)CCN(C)C(=O)OC(C)(C)C)s1
InChIInChI=1S/C16H27N3O3S/c1-11-10-12(17-5)23-13(11)14(20)18(6)8-9-19(7)15(21)22-16(2,3)4/h10,17H,8-9H2,1-7H3
InChIKeyYJJPBFPTSNBWFR-UHFFFAOYSA-N
MW341.48 g/mol
LogP3.04
Rot. Bonds5

About tert-butyl N-methyl-N-[2-[methyl-[3-methyl-5-(methylamino)thiophene-2-carbonyl]amino]ethyl]carbamate

tert-butyl N-methyl-N-[2-[methyl-[3-methyl-5-(methylamino)thiophene-2-carbonyl]amino]ethyl]carbamate (PubChem CID 86663473) has the molecular formula C16H27N3O3S and a molecular weight of 341.48 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[2-[methyl-[3-methyl-5-(methylamino)thiophene-2-carbonyl]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[2-[methyl-[3-methyl-5-(methylamino)thiophene-2-carbonyl]amino]ethyl]carbamate
PubChem CID86663473
Molecular FormulaC16H27N3O3S
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC Nametert-butyl N-methyl-N-[2-[methyl-[3-methyl-5-(methylamino)thiophene-2-carbonyl]amino]ethyl]carbamate
SMILESCNc1cc(C)c(C(=O)N(C)CCN(C)C(=O)OC(C)(C)C)s1
InChIInChI=1S/C16H27N3O3S/c1-11-10-12(17-5)23-13(11)14(20)18(6)8-9-19(7)15(21)22-16(2,3)4/h10,17H,8-9H2,1-7H3
InChIKeyYJJPBFPTSNBWFR-UHFFFAOYSA-N
XLogP3.04
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[2-[methyl-[3-methyl-5-(methylamino)thiophene-2-carbonyl]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[2-[methyl-[3-methyl-5-(methylamino)thiophene-2-carbonyl]amino]ethyl]carbamate (CID 86663473) is tert-butyl N-methyl-N-[2-[methyl-[3-methyl-5-(methylamino)thiophene-2-carbonyl]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[2-[methyl-[3-methyl-5-(methylamino)thiophene-2-carbonyl]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[2-[methyl-[3-methyl-5-(methylamino)thiophene-2-carbonyl]amino]ethyl]carbamate is CNc1cc(C)c(C(=O)N(C)CCN(C)C(=O)OC(C)(C)C)s1.
What is the InChIKey of tert-butyl N-methyl-N-[2-[methyl-[3-methyl-5-(methylamino)thiophene-2-carbonyl]amino]ethyl]carbamate?
The InChIKey is YJJPBFPTSNBWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S/c1-11-10-12(17-5)23-13(11)14(20)18(6)8-9-19(7)15(21)22-16(2,3)4/h10,17H,8-9H2,1-7H3.
What are the key properties of tert-butyl N-methyl-N-[2-[methyl-[3-methyl-5-(methylamino)thiophene-2-carbonyl]amino]ethyl]carbamate?
tert-butyl N-methyl-N-[2-[methyl-[3-methyl-5-(methylamino)thiophene-2-carbonyl]amino]ethyl]carbamate has a molecular weight of 341.48 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[2-[methyl-[3-methyl-5-(methylamino)thiophene-2-carbonyl]amino]ethyl]carbamate is sourced from PubChem (CID 86663473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).