ethyl N-(4-propylphenyl)-N-propylsulfonylcarbamate

C15H23NO4S — CID 58658653

IUPACethyl N-(4-propylphenyl)-N-propylsulfonylcarbamate
SMILESCCCc1ccc(N(C(=O)OCC)S(=O)(=O)CCC)cc1
InChIInChI=1S/C15H23NO4S/c1-4-7-13-8-10-14(11-9-13)16(15(17)20-6-3)21(18,19)12-5-2/h8-11H,4-7,12H2,1-3H3
InChIKeyXTTDNUFHXLTBPT-UHFFFAOYSA-N
MW313.42 g/mol
LogP3.34
Rot. Bonds7

About ethyl N-(4-propylphenyl)-N-propylsulfonylcarbamate

ethyl N-(4-propylphenyl)-N-propylsulfonylcarbamate (PubChem CID 58658653) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is ethyl N-(4-propylphenyl)-N-propylsulfonylcarbamate.

Molecular Properties

Compound Nameethyl N-(4-propylphenyl)-N-propylsulfonylcarbamate
PubChem CID58658653
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Nameethyl N-(4-propylphenyl)-N-propylsulfonylcarbamate
SMILESCCCc1ccc(N(C(=O)OCC)S(=O)(=O)CCC)cc1
InChIInChI=1S/C15H23NO4S/c1-4-7-13-8-10-14(11-9-13)16(15(17)20-6-3)21(18,19)12-5-2/h8-11H,4-7,12H2,1-3H3
InChIKeyXTTDNUFHXLTBPT-UHFFFAOYSA-N
XLogP3.34
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
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-propan-2-ylsulfonyl-N-(4-propylphenyl)carbamate
CID 58658649
propan-2-yl N-methylsulfonyl-N-(4-propylphenyl)carbamate
CID 58658676
1-[4-[[4-[carbamoyl(pentylsulfonyl)amino]phenyl]methyl]phenyl]-1-pentylsulfonylurea
CID 67851711
N-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(4-propylphenoxy)acetamide
CID 19212877
ethyl 2-oxo-2-(4-propylphenyl)acetate
CID 2758899
ethyl 2-amino-2-(4-propylphenyl)acetate
CID 116947143
methyl-(4-propylphenyl)carbamic acid
CID 115170704
3-amino-N-methyl-N-(4-propylphenyl)cyclobutane-1-carboxamide
CID 115161397
methyl N-methyl-N-[(4-propylphenyl)methyl]carbamate
CID 115190601
N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylpentanamide
CID 19210416
1-propan-2-yl-1-(4-propylphenyl)hydrazine
CID 146617332
N-[4-(aminomethyl)phenyl]-N-methyl-4-propylaniline
CID 117041612

Frequently Asked Questions

What is the IUPAC name of ethyl N-(4-propylphenyl)-N-propylsulfonylcarbamate?
The IUPAC name of ethyl N-(4-propylphenyl)-N-propylsulfonylcarbamate (CID 58658653) is ethyl N-(4-propylphenyl)-N-propylsulfonylcarbamate.
What is the SMILES notation for ethyl N-(4-propylphenyl)-N-propylsulfonylcarbamate?
The canonical SMILES for ethyl N-(4-propylphenyl)-N-propylsulfonylcarbamate is CCCc1ccc(N(C(=O)OCC)S(=O)(=O)CCC)cc1.
What is the InChIKey of ethyl N-(4-propylphenyl)-N-propylsulfonylcarbamate?
The InChIKey is XTTDNUFHXLTBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-4-7-13-8-10-14(11-9-13)16(15(17)20-6-3)21(18,19)12-5-2/h8-11H,4-7,12H2,1-3H3.
What are the key properties of ethyl N-(4-propylphenyl)-N-propylsulfonylcarbamate?
ethyl N-(4-propylphenyl)-N-propylsulfonylcarbamate has a molecular weight of 313.42 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4-propylphenyl)-N-propylsulfonylcarbamate is sourced from PubChem (CID 58658653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).