ethyl N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]carbamate

C14H21ClN2O4S — CID 113068392

IUPACethyl N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]carbamate
SMILESCCOC(=O)NCCN(CCc1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C14H21ClN2O4S/c1-3-21-14(18)16-8-10-17(22(2,19)20)9-7-12-5-4-6-13(15)11-12/h4-6,11H,3,7-10H2,1-2H3,(H,16,18)
InChIKeyRGYCNNNDUYYPTQ-UHFFFAOYSA-N
MW348.85 g/mol
LogP1.89
Rot. Bonds8

About ethyl N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]carbamate

ethyl N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]carbamate (PubChem CID 113068392) has the molecular formula C14H21ClN2O4S and a molecular weight of 348.85 g/mol. Its IUPAC name is ethyl N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]carbamate
PubChem CID113068392
Molecular FormulaC14H21ClN2O4S
Molecular Weight348.85 g/mol
Exact Mass348.09
IUPAC Nameethyl N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]carbamate
SMILESCCOC(=O)NCCN(CCc1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C14H21ClN2O4S/c1-3-21-14(18)16-8-10-17(22(2,19)20)9-7-12-5-4-6-13(15)11-12/h4-6,11H,3,7-10H2,1-2H3,(H,16,18)
InChIKeyRGYCNNNDUYYPTQ-UHFFFAOYSA-N
XLogP1.89
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.85
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]carbamate
CID 113067706
N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]benzamide
CID 113068381
ethyl N-[2-[benzyl(methylsulfonyl)amino]ethyl]carbamate
CID 113066591
2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(2-methoxyethyl)acetamide
CID 113153556
N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]oxane-4-carboxamide
CID 113068395
2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(2-phenylethyl)acetamide
CID 113153577
methyl 2-[3-[3-[3-(3-chlorophenyl)propyl-methylsulfonylamino]propyl]phenyl]acetate
CID 54185984
N-tert-butyl-2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]acetamide
CID 113153579
N-[2-(3-chlorophenyl)ethyl]-2-[2-methoxyethyl(methylsulfonyl)amino]acetamide
CID 113149307
methyl N-[2-(3-chlorophenyl)ethyl]carbamate
CID 897069
ethyl N-[2-[methylsulfonyl(pentyl)amino]ethyl]carbamate
CID 113068338
2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(2-ethylphenyl)acetamide
CID 113153600

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]carbamate?
The IUPAC name of ethyl N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]carbamate (CID 113068392) is ethyl N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]carbamate?
The canonical SMILES for ethyl N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]carbamate is CCOC(=O)NCCN(CCc1cccc(Cl)c1)S(C)(=O)=O.
What is the InChIKey of ethyl N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]carbamate?
The InChIKey is RGYCNNNDUYYPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O4S/c1-3-21-14(18)16-8-10-17(22(2,19)20)9-7-12-5-4-6-13(15)11-12/h4-6,11H,3,7-10H2,1-2H3,(H,16,18).
What are the key properties of ethyl N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]carbamate?
ethyl N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]carbamate has a molecular weight of 348.85 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]carbamate is sourced from PubChem (CID 113068392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).