tert-butyl N-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl]carbamate

C17H22N2O3S2 — CID 67704750

IUPACtert-butyl N-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C17H22N2O3S2/c1-17(2,3)22-16(21)18-10-15(20)19(11-13-6-4-8-23-13)12-14-7-5-9-24-14/h4-9H,10-12H2,1-3H3,(H,18,21)
InChIKeyDNXWJCDPGOJNRB-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.86
Rot. Bonds6

About tert-butyl N-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl]carbamate

tert-butyl N-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl]carbamate (PubChem CID 67704750) has the molecular formula C17H22N2O3S2 and a molecular weight of 366.51 g/mol. Its IUPAC name is tert-butyl N-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl]carbamate
PubChem CID67704750
Molecular FormulaC17H22N2O3S2
Molecular Weight366.51 g/mol
Exact Mass366.11
IUPAC Nametert-butyl N-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C17H22N2O3S2/c1-17(2,3)22-16(21)18-10-15(20)19(11-13-6-4-8-23-13)12-14-7-5-9-24-14/h4-9H,10-12H2,1-3H3,(H,18,21)
InChIKeyDNXWJCDPGOJNRB-UHFFFAOYSA-N
XLogP3.86
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[4-[ethyl(thiophen-2-ylmethyl)amino]-4-oxobutyl]carbamate
CID 134029504
tert-butyl N-[2-(thiophen-2-ylmethylamino)ethyl]carbamate
CID 71214616
[2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl-(thiophen-2-ylmethyl)carbamoyl]phenyl] acetate
CID 69396370
tert-butyl N-[(E)-4-(thiophen-2-ylmethylamino)but-2-enyl]carbamate
CID 107253094
tert-butyl N-[(2R)-1-[bis(thiophen-2-ylmethyl)amino]-1-oxohexan-2-yl]carbamate
CID 140616777
tert-butyl 2-oxo-2-(2-thiophen-2-ylethylamino)acetate
CID 115141760
3-(ethylamino)-N,N-bis(thiophen-2-ylmethyl)propanamide
CID 62834920
4-tert-butyl-N-[2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl]benzamide
CID 31330549
tert-butyl N-[4-(2-thiophen-2-ylethylcarbamoyl)phenyl]carbamate
CID 27770407
[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl] acetate
CID 134567543
tert-butyl N-(1-chloro-2-thiophen-2-ylethyl)carbamate
CID 70494675
[(5S)-6-[butyl(thiophen-2-ylmethyl)amino]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexyl]carbamic acid
CID 118113494

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl]carbamate (CID 67704750) is tert-butyl N-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)N(Cc1cccs1)Cc1cccs1.
What is the InChIKey of tert-butyl N-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl]carbamate?
The InChIKey is DNXWJCDPGOJNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S2/c1-17(2,3)22-16(21)18-10-15(20)19(11-13-6-4-8-23-13)12-14-7-5-9-24-14/h4-9H,10-12H2,1-3H3,(H,18,21).
What are the key properties of tert-butyl N-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl]carbamate?
tert-butyl N-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl]carbamate has a molecular weight of 366.51 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 67704750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).