tert-butyl N-[4-[ethyl(thiophen-2-ylmethyl)amino]-4-oxobutyl]carbamate

C16H26N2O3S — CID 134029504

IUPACtert-butyl N-[4-[ethyl(thiophen-2-ylmethyl)amino]-4-oxobutyl]carbamate
SMILESCCN(Cc1cccs1)C(=O)CCCNC(=O)OC(C)(C)C
InChIInChI=1S/C16H26N2O3S/c1-5-18(12-13-8-7-11-22-13)14(19)9-6-10-17-15(20)21-16(2,3)4/h7-8,11H,5-6,9-10,12H2,1-4H3,(H,17,20)
InChIKeyIZFYCLCUXFHUEX-UHFFFAOYSA-N
MW326.46 g/mol
LogP3.40
Rot. Bonds7

About tert-butyl N-[4-[ethyl(thiophen-2-ylmethyl)amino]-4-oxobutyl]carbamate

tert-butyl N-[4-[ethyl(thiophen-2-ylmethyl)amino]-4-oxobutyl]carbamate (PubChem CID 134029504) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is tert-butyl N-[4-[ethyl(thiophen-2-ylmethyl)amino]-4-oxobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[ethyl(thiophen-2-ylmethyl)amino]-4-oxobutyl]carbamate
PubChem CID134029504
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Nametert-butyl N-[4-[ethyl(thiophen-2-ylmethyl)amino]-4-oxobutyl]carbamate
SMILESCCN(Cc1cccs1)C(=O)CCCNC(=O)OC(C)(C)C
InChIInChI=1S/C16H26N2O3S/c1-5-18(12-13-8-7-11-22-13)14(19)9-6-10-17-15(20)21-16(2,3)4/h7-8,11H,5-6,9-10,12H2,1-4H3,(H,17,20)
InChIKeyIZFYCLCUXFHUEX-UHFFFAOYSA-N
XLogP3.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl]carbamate
CID 67704750
N-ethyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 78801832
6-acetamido-N,N-bis(thiophen-2-ylmethyl)hexanamide
CID 173199914
[2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl-(thiophen-2-ylmethyl)carbamoyl]phenyl] acetate
CID 69396370
tert-butyl N-[2-(thiophen-2-ylmethylamino)ethyl]carbamate
CID 71214616
N-[3-[ethyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 18163378
tert-butyl N-[(2R)-1-[bis(thiophen-2-ylmethyl)amino]-1-oxohexan-2-yl]carbamate
CID 140616777
tert-butyl N-[4-(dipropylamino)-4-oxobutyl]carbamate
CID 24689070
N-ethyl-4-oxo-4-thiophen-2-yl-N-(thiophen-2-ylmethyl)butanamide
CID 78801765
3-(ethylamino)-N,N-bis(thiophen-2-ylmethyl)propanamide
CID 62834920
[(5S)-6-[butyl(thiophen-2-ylmethyl)amino]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexyl]carbamic acid
CID 118113494
N-ethyl-2-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 103602479

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[ethyl(thiophen-2-ylmethyl)amino]-4-oxobutyl]carbamate?
The IUPAC name of tert-butyl N-[4-[ethyl(thiophen-2-ylmethyl)amino]-4-oxobutyl]carbamate (CID 134029504) is tert-butyl N-[4-[ethyl(thiophen-2-ylmethyl)amino]-4-oxobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[ethyl(thiophen-2-ylmethyl)amino]-4-oxobutyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[ethyl(thiophen-2-ylmethyl)amino]-4-oxobutyl]carbamate is CCN(Cc1cccs1)C(=O)CCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-[ethyl(thiophen-2-ylmethyl)amino]-4-oxobutyl]carbamate?
The InChIKey is IZFYCLCUXFHUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-5-18(12-13-8-7-11-22-13)14(19)9-6-10-17-15(20)21-16(2,3)4/h7-8,11H,5-6,9-10,12H2,1-4H3,(H,17,20).
What are the key properties of tert-butyl N-[4-[ethyl(thiophen-2-ylmethyl)amino]-4-oxobutyl]carbamate?
tert-butyl N-[4-[ethyl(thiophen-2-ylmethyl)amino]-4-oxobutyl]carbamate has a molecular weight of 326.46 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[ethyl(thiophen-2-ylmethyl)amino]-4-oxobutyl]carbamate is sourced from PubChem (CID 134029504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).