[3-[(4-methoxyphenyl)carbamoyl]phenyl] N,N-dimethylsulfamate

C16H18N2O5S — CID 4309985

IUPAC[3-[(4-methoxyphenyl)carbamoyl]phenyl] N,N-dimethylsulfamate
SMILESCOc1ccc(NC(=O)c2cccc(OS(=O)(=O)N(C)C)c2)cc1
InChIInChI=1S/C16H18N2O5S/c1-18(2)24(20,21)23-15-6-4-5-12(11-15)16(19)17-13-7-9-14(22-3)10-8-13/h4-11H,1-3H3,(H,17,19)
InChIKeyLUXUEXDAQBVPHW-UHFFFAOYSA-N
MW350.40 g/mol
LogP2.13
Rot. Bonds6

About [3-[(4-methoxyphenyl)carbamoyl]phenyl] N,N-dimethylsulfamate

[3-[(4-methoxyphenyl)carbamoyl]phenyl] N,N-dimethylsulfamate (PubChem CID 4309985) has the molecular formula C16H18N2O5S and a molecular weight of 350.40 g/mol. Its IUPAC name is [3-[(4-methoxyphenyl)carbamoyl]phenyl] N,N-dimethylsulfamate.

Molecular Properties

Compound Name[3-[(4-methoxyphenyl)carbamoyl]phenyl] N,N-dimethylsulfamate
PubChem CID4309985
Molecular FormulaC16H18N2O5S
Molecular Weight350.40 g/mol
Exact Mass350.09
IUPAC Name[3-[(4-methoxyphenyl)carbamoyl]phenyl] N,N-dimethylsulfamate
SMILESCOc1ccc(NC(=O)c2cccc(OS(=O)(=O)N(C)C)c2)cc1
InChIInChI=1S/C16H18N2O5S/c1-18(2)24(20,21)23-15-6-4-5-12(11-15)16(19)17-13-7-9-14(22-3)10-8-13/h4-11H,1-3H3,(H,17,19)
InChIKeyLUXUEXDAQBVPHW-UHFFFAOYSA-N
XLogP2.13
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[(4-methoxyphenyl)carbamoyl]phenyl] N,N-dimethylsulfamate?
The IUPAC name of [3-[(4-methoxyphenyl)carbamoyl]phenyl] N,N-dimethylsulfamate (CID 4309985) is [3-[(4-methoxyphenyl)carbamoyl]phenyl] N,N-dimethylsulfamate.
What is the SMILES notation for [3-[(4-methoxyphenyl)carbamoyl]phenyl] N,N-dimethylsulfamate?
The canonical SMILES for [3-[(4-methoxyphenyl)carbamoyl]phenyl] N,N-dimethylsulfamate is COc1ccc(NC(=O)c2cccc(OS(=O)(=O)N(C)C)c2)cc1.
What is the InChIKey of [3-[(4-methoxyphenyl)carbamoyl]phenyl] N,N-dimethylsulfamate?
The InChIKey is LUXUEXDAQBVPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S/c1-18(2)24(20,21)23-15-6-4-5-12(11-15)16(19)17-13-7-9-14(22-3)10-8-13/h4-11H,1-3H3,(H,17,19).
What are the key properties of [3-[(4-methoxyphenyl)carbamoyl]phenyl] N,N-dimethylsulfamate?
[3-[(4-methoxyphenyl)carbamoyl]phenyl] N,N-dimethylsulfamate has a molecular weight of 350.40 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-methoxyphenyl)carbamoyl]phenyl] N,N-dimethylsulfamate is sourced from PubChem (CID 4309985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).