benzyl N-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]carbamate

C17H20N2O3S — CID 18111263

IUPACbenzyl N-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]carbamate
SMILESC[C@H](NC(=O)OCc1ccccc1)C(=O)NCCc1cccs1
InChIInChI=1S/C17H20N2O3S/c1-13(16(20)18-10-9-15-8-5-11-23-15)19-17(21)22-12-14-6-3-2-4-7-14/h2-8,11,13H,9-10,12H2,1H3,(H,18,20)(H,19,21)/t13-/m0/s1
InChIKeyBIIXFFARHTWIAO-ZDUSSCGKSA-N
MW332.42 g/mol
LogP2.72
Rot. Bonds7

About benzyl N-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]carbamate

benzyl N-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]carbamate (PubChem CID 18111263) has the molecular formula C17H20N2O3S and a molecular weight of 332.42 g/mol. Its IUPAC name is benzyl N-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]carbamate
PubChem CID18111263
Molecular FormulaC17H20N2O3S
Molecular Weight332.42 g/mol
Exact Mass332.12
IUPAC Namebenzyl N-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]carbamate
SMILESC[C@H](NC(=O)OCc1ccccc1)C(=O)NCCc1cccs1
InChIInChI=1S/C17H20N2O3S/c1-13(16(20)18-10-9-15-8-5-11-23-15)19-17(21)22-12-14-6-3-2-4-7-14/h2-8,11,13H,9-10,12H2,1H3,(H,18,20)(H,19,21)/t13-/m0/s1
InChIKeyBIIXFFARHTWIAO-ZDUSSCGKSA-N
XLogP2.72
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[(2S)-1-(2-chloroethylamino)-1-oxopropan-2-yl]carbamate
CID 125470315
benzyl N-[(2R)-1-(2-chloroethylamino)-1-oxopropan-2-yl]carbamate
CID 125470316
(2S)-2-amino-4-phenyl-N-(2-thiophen-2-ylethyl)butanamide
CID 104983787
benzyl N-[(2S)-1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]carbamate
CID 18108915
hydroxy-oxo-[2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]ethyl]phosphanium
CID 57082591
benzyl N-[(2S)-1-(methoxymethylamino)-1-oxopropan-2-yl]carbamate
CID 14333276
benzyl N-[(2S)-1-[(3-chloro-2-oxopropyl)amino]-1-oxopropan-2-yl]carbamate
CID 118798323
benzyl N-[1-oxo-1-(undecylamino)propan-2-yl]carbamate
CID 135363968
3-[2-(phenylmethoxycarbonylamino)propanoylamino]propyl acetate
CID 67664109
benzyl N-[(2S)-1-oxo-1-(1-phenylethylamino)propan-2-yl]carbamate
CID 18108336
ethyl 2-[[2-[2-(phenylmethoxycarbonylamino)propanoylamino]acetyl]amino]acetate
CID 23278167
benzyl N-(3-oxobutan-2-yl)carbamate
CID 18726564

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]carbamate (CID 18111263) is benzyl N-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]carbamate is C[C@H](NC(=O)OCc1ccccc1)C(=O)NCCc1cccs1.
What is the InChIKey of benzyl N-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]carbamate?
The InChIKey is BIIXFFARHTWIAO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-13(16(20)18-10-9-15-8-5-11-23-15)19-17(21)22-12-14-6-3-2-4-7-14/h2-8,11,13H,9-10,12H2,1H3,(H,18,20)(H,19,21)/t13-/m0/s1.
What are the key properties of benzyl N-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]carbamate?
benzyl N-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]carbamate has a molecular weight of 332.42 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]carbamate is sourced from PubChem (CID 18111263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).