tert-butyl N-[1-(4-chlorophenyl)-2-oxo-2-[[6-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]-3-pyridinyl]amino]ethyl]carbamate

C23H23ClN4O4S — CID 159121902

IUPACtert-butyl N-[1-(4-chlorophenyl)-2-oxo-2-[[6-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]-3-pyridinyl]amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(C(=O)Nc1ccc(CC(=O)c2cscn2)nc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H23ClN4O4S/c1-23(2,3)32-22(31)28-20(14-4-6-15(24)7-5-14)21(30)27-17-9-8-16(25-11-17)10-19(29)18-12-33-13-26-18/h4-9,11-13,20H,10H2,1-3H3,(H,27,30)(H,28,31)
InChIKeyKFUJOBOTNQNUBU-UHFFFAOYSA-N
MW486.98 g/mol
LogP4.82
Rot. Bonds7

About tert-butyl N-[1-(4-chlorophenyl)-2-oxo-2-[[6-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]-3-pyridinyl]amino]ethyl]carbamate

tert-butyl N-[1-(4-chlorophenyl)-2-oxo-2-[[6-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]-3-pyridinyl]amino]ethyl]carbamate (PubChem CID 159121902) has the molecular formula C23H23ClN4O4S and a molecular weight of 486.98 g/mol. Its IUPAC name is tert-butyl N-[1-(4-chlorophenyl)-2-oxo-2-[[6-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]-3-pyridinyl]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(4-chlorophenyl)-2-oxo-2-[[6-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]-3-pyridinyl]amino]ethyl]carbamate
PubChem CID159121902
Molecular FormulaC23H23ClN4O4S
Molecular Weight486.98 g/mol
Exact Mass486.11
IUPAC Nametert-butyl N-[1-(4-chlorophenyl)-2-oxo-2-[[6-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]-3-pyridinyl]amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(C(=O)Nc1ccc(CC(=O)c2cscn2)nc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H23ClN4O4S/c1-23(2,3)32-22(31)28-20(14-4-6-15(24)7-5-14)21(30)27-17-9-8-16(25-11-17)10-19(29)18-12-33-13-26-18/h4-9,11-13,20H,10H2,1-3H3,(H,27,30)(H,28,31)
InChIKeyKFUJOBOTNQNUBU-UHFFFAOYSA-N
XLogP4.82
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.98
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[1-(4-chlorophenyl)-2-oxo-2-[[6-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]-3-pyridinyl]amino]ethyl]carbamate with MolForge

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Related Compounds

(2R)-2-(4-chlorophenyl)-N-[6-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]-3-pyridinyl]propanamide
CID 147992779
(2S)-N-[6-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]-3-pyridinyl]-2-[3-(trifluoromethyl)phenyl]propanamide
CID 146871892
(2S)-2-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;(2R)-2-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 159251854
tert-butyl N-[6-(methoxymethyl)-3-pyridinyl]carbamate
CID 174674918
4-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]amino]benzoic acid
CID 172731528
tert-butyl N-[(1R)-2-[4-[[(4-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]methyl]anilino]-2-oxo-1-phenylethyl]carbamate
CID 70792741
tert-butyl 4-[[(2S)-2-(4-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]benzoate
CID 156565273
tert-butyl N-[6-(4-chloroanilino)-3-pyridinyl]carbamate
CID 113018638
tert-butyl N-[(1S)-2-[[1-(4-chlorophenyl)-2-methylpropan-2-yl]amino]-2-oxo-1-phenylethyl]carbamate
CID 163242383
tert-butyl N-[(1S)-1-(4-chlorophenyl)ethyl]carbamate
CID 81353770
tert-butyl N-[(2R)-1-[[6-[(2-tert-butyl-4-cyanophenyl)methyl]-3-pyridinyl]amino]-1-oxobutan-2-yl]carbamate
CID 130468131
tert-butyl N-[3-(5-chloro-2-pyridinyl)-2-oxopropyl]carbamate
CID 159769614

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(4-chlorophenyl)-2-oxo-2-[[6-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]-3-pyridinyl]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[1-(4-chlorophenyl)-2-oxo-2-[[6-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]-3-pyridinyl]amino]ethyl]carbamate (CID 159121902) is tert-butyl N-[1-(4-chlorophenyl)-2-oxo-2-[[6-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]-3-pyridinyl]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(4-chlorophenyl)-2-oxo-2-[[6-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]-3-pyridinyl]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(4-chlorophenyl)-2-oxo-2-[[6-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]-3-pyridinyl]amino]ethyl]carbamate is CC(C)(C)OC(=O)NC(C(=O)Nc1ccc(CC(=O)c2cscn2)nc1)c1ccc(Cl)cc1.
What is the InChIKey of tert-butyl N-[1-(4-chlorophenyl)-2-oxo-2-[[6-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]-3-pyridinyl]amino]ethyl]carbamate?
The InChIKey is KFUJOBOTNQNUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O4S/c1-23(2,3)32-22(31)28-20(14-4-6-15(24)7-5-14)21(30)27-17-9-8-16(25-11-17)10-19(29)18-12-33-13-26-18/h4-9,11-13,20H,10H2,1-3H3,(H,27,30)(H,28,31).
What are the key properties of tert-butyl N-[1-(4-chlorophenyl)-2-oxo-2-[[6-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]-3-pyridinyl]amino]ethyl]carbamate?
tert-butyl N-[1-(4-chlorophenyl)-2-oxo-2-[[6-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]-3-pyridinyl]amino]ethyl]carbamate has a molecular weight of 486.98 g/mol, XLogP of 4.82, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(4-chlorophenyl)-2-oxo-2-[[6-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]-3-pyridinyl]amino]ethyl]carbamate is sourced from PubChem (CID 159121902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).