tert-butyl N-[1-(2-chlorophenyl)-2-(methanesulfonamido)ethyl]carbamate

C14H21ClN2O4S — CID 59536886

IUPACtert-butyl N-[1-(2-chlorophenyl)-2-(methanesulfonamido)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(CNS(C)(=O)=O)c1ccccc1Cl
InChIInChI=1S/C14H21ClN2O4S/c1-14(2,3)21-13(18)17-12(9-16-22(4,19)20)10-7-5-6-8-11(10)15/h5-8,12,16H,9H2,1-4H3,(H,17,18)
InChIKeyYVHZGWVWXOPIKG-UHFFFAOYSA-N
MW348.85 g/mol
LogP2.45
Rot. Bonds5

About tert-butyl N-[1-(2-chlorophenyl)-2-(methanesulfonamido)ethyl]carbamate

tert-butyl N-[1-(2-chlorophenyl)-2-(methanesulfonamido)ethyl]carbamate (PubChem CID 59536886) has the molecular formula C14H21ClN2O4S and a molecular weight of 348.85 g/mol. Its IUPAC name is tert-butyl N-[1-(2-chlorophenyl)-2-(methanesulfonamido)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2-chlorophenyl)-2-(methanesulfonamido)ethyl]carbamate
PubChem CID59536886
Molecular FormulaC14H21ClN2O4S
Molecular Weight348.85 g/mol
Exact Mass348.09
IUPAC Nametert-butyl N-[1-(2-chlorophenyl)-2-(methanesulfonamido)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(CNS(C)(=O)=O)c1ccccc1Cl
InChIInChI=1S/C14H21ClN2O4S/c1-14(2,3)21-13(18)17-12(9-16-22(4,19)20)10-7-5-6-8-11(10)15/h5-8,12,16H,9H2,1-4H3,(H,17,18)
InChIKeyYVHZGWVWXOPIKG-UHFFFAOYSA-N
XLogP2.45
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.85
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3R)-3-(2-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 91018494
tert-butyl N-[(2R)-2-amino-2-(2-chlorophenyl)ethyl]carbamate
CID 51601253
tert-butyl N-[2-(2-chlorophenyl)-3-hydroxypropyl]carbamate
CID 66635358
tert-butyl N-[(1S,2R)-1-(2-chlorophenyl)-2-nitropropyl]carbamate
CID 101454592
diethyl 2-[(R)-(2-chlorophenyl)-[(2-methylpropan-2-yl)oxycarbonylamino]methyl]propanedioate
CID 134849780
tert-butyl N-[3-amino-2-(2-chlorophenyl)propyl]carbamate
CID 84730749
ethyl (2S,3R)-3-(2-chlorophenyl)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 100995159
tert-butyl N-[(1R)-1-(2-hydroxyphenyl)propyl]carbamate
CID 52908303
tert-butyl N-[(1S)-1-(3-chloro-2-fluorophenyl)-3-oxopropyl]carbamate
CID 165494137
tert-butyl N-[(1S)-1-(2-fluorophenyl)-2-hydroxyethyl]carbamate
CID 86328737
tert-butyl N-[1-(2-chlorophenyl)propan-2-yl]carbamate
CID 63789387
tert-butyl N-[(1R)-1-(2-bromophenyl)-2-hydroxyethyl]carbamate
CID 151826390

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2-chlorophenyl)-2-(methanesulfonamido)ethyl]carbamate?
The IUPAC name of tert-butyl N-[1-(2-chlorophenyl)-2-(methanesulfonamido)ethyl]carbamate (CID 59536886) is tert-butyl N-[1-(2-chlorophenyl)-2-(methanesulfonamido)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(2-chlorophenyl)-2-(methanesulfonamido)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(2-chlorophenyl)-2-(methanesulfonamido)ethyl]carbamate is CC(C)(C)OC(=O)NC(CNS(C)(=O)=O)c1ccccc1Cl.
What is the InChIKey of tert-butyl N-[1-(2-chlorophenyl)-2-(methanesulfonamido)ethyl]carbamate?
The InChIKey is YVHZGWVWXOPIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O4S/c1-14(2,3)21-13(18)17-12(9-16-22(4,19)20)10-7-5-6-8-11(10)15/h5-8,12,16H,9H2,1-4H3,(H,17,18).
What are the key properties of tert-butyl N-[1-(2-chlorophenyl)-2-(methanesulfonamido)ethyl]carbamate?
tert-butyl N-[1-(2-chlorophenyl)-2-(methanesulfonamido)ethyl]carbamate has a molecular weight of 348.85 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2-chlorophenyl)-2-(methanesulfonamido)ethyl]carbamate is sourced from PubChem (CID 59536886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).