ethyl N-propan-2-ylsulfonyl-N-(4-propylphenyl)carbamate

C15H23NO4S — CID 58658649

IUPACethyl N-propan-2-ylsulfonyl-N-(4-propylphenyl)carbamate
SMILESCCCc1ccc(N(C(=O)OCC)S(=O)(=O)C(C)C)cc1
InChIInChI=1S/C15H23NO4S/c1-5-7-13-8-10-14(11-9-13)16(15(17)20-6-2)21(18,19)12(3)4/h8-12H,5-7H2,1-4H3
InChIKeyISAHTJLJGXYATJ-UHFFFAOYSA-N
MW313.42 g/mol
LogP3.34
Rot. Bonds6

About ethyl N-propan-2-ylsulfonyl-N-(4-propylphenyl)carbamate

ethyl N-propan-2-ylsulfonyl-N-(4-propylphenyl)carbamate (PubChem CID 58658649) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is ethyl N-propan-2-ylsulfonyl-N-(4-propylphenyl)carbamate.

Molecular Properties

Compound Nameethyl N-propan-2-ylsulfonyl-N-(4-propylphenyl)carbamate
PubChem CID58658649
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Nameethyl N-propan-2-ylsulfonyl-N-(4-propylphenyl)carbamate
SMILESCCCc1ccc(N(C(=O)OCC)S(=O)(=O)C(C)C)cc1
InChIInChI=1S/C15H23NO4S/c1-5-7-13-8-10-14(11-9-13)16(15(17)20-6-2)21(18,19)12(3)4/h8-12H,5-7H2,1-4H3
InChIKeyISAHTJLJGXYATJ-UHFFFAOYSA-N
XLogP3.34
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-(4-propylphenyl)-N-propylsulfonylcarbamate
CID 58658653
propan-2-yl N-methylsulfonyl-N-(4-propylphenyl)carbamate
CID 58658676
1-propan-2-yl-1-(4-propylphenyl)hydrazine
CID 146617332
ethyl 2-amino-2-(4-propylphenyl)acetate
CID 116947143
ethyl 2-[(4-propylphenyl)methylamino]propanoate
CID 83307592
N-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(4-propylphenoxy)acetamide
CID 19212877
ethyl 5-amino-3,3-dimethyl-5-(4-propylphenyl)pentanoate
CID 62935026
ethyl 2-oxo-2-(4-propylphenyl)acetate
CID 2758899
ethyl 2-(4-propylphenoxy)butanoate
CID 64662863
ethyl N-(4-fluorophenyl)-N-propan-2-ylcarbamate
CID 117061413
methyl-(4-propylphenyl)carbamic acid
CID 115170704
methyl 2-(4-propylphenyl)propanoate
CID 62801402

Frequently Asked Questions

What is the IUPAC name of ethyl N-propan-2-ylsulfonyl-N-(4-propylphenyl)carbamate?
The IUPAC name of ethyl N-propan-2-ylsulfonyl-N-(4-propylphenyl)carbamate (CID 58658649) is ethyl N-propan-2-ylsulfonyl-N-(4-propylphenyl)carbamate.
What is the SMILES notation for ethyl N-propan-2-ylsulfonyl-N-(4-propylphenyl)carbamate?
The canonical SMILES for ethyl N-propan-2-ylsulfonyl-N-(4-propylphenyl)carbamate is CCCc1ccc(N(C(=O)OCC)S(=O)(=O)C(C)C)cc1.
What is the InChIKey of ethyl N-propan-2-ylsulfonyl-N-(4-propylphenyl)carbamate?
The InChIKey is ISAHTJLJGXYATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-5-7-13-8-10-14(11-9-13)16(15(17)20-6-2)21(18,19)12(3)4/h8-12H,5-7H2,1-4H3.
What are the key properties of ethyl N-propan-2-ylsulfonyl-N-(4-propylphenyl)carbamate?
ethyl N-propan-2-ylsulfonyl-N-(4-propylphenyl)carbamate has a molecular weight of 313.42 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-propan-2-ylsulfonyl-N-(4-propylphenyl)carbamate is sourced from PubChem (CID 58658649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).