phenyl N-[4-(methanesulfonamidomethyl)-3-methoxyphenyl]carbamate

C16H18N2O5S — CID 86679381

IUPACphenyl N-[4-(methanesulfonamidomethyl)-3-methoxyphenyl]carbamate
SMILESCOc1cc(NC(=O)Oc2ccccc2)ccc1CNS(C)(=O)=O
InChIInChI=1S/C16H18N2O5S/c1-22-15-10-13(9-8-12(15)11-17-24(2,20)21)18-16(19)23-14-6-4-3-5-7-14/h3-10,17H,11H2,1-2H3,(H,18,19)
InChIKeyRMVWNWKAOXOKDI-UHFFFAOYSA-N
MW350.40 g/mol
LogP2.36
Rot. Bonds6

About phenyl N-[4-(methanesulfonamidomethyl)-3-methoxyphenyl]carbamate

phenyl N-[4-(methanesulfonamidomethyl)-3-methoxyphenyl]carbamate (PubChem CID 86679381) has the molecular formula C16H18N2O5S and a molecular weight of 350.40 g/mol. Its IUPAC name is phenyl N-[4-(methanesulfonamidomethyl)-3-methoxyphenyl]carbamate.

Molecular Properties

Compound Namephenyl N-[4-(methanesulfonamidomethyl)-3-methoxyphenyl]carbamate
PubChem CID86679381
Molecular FormulaC16H18N2O5S
Molecular Weight350.40 g/mol
Exact Mass350.09
IUPAC Namephenyl N-[4-(methanesulfonamidomethyl)-3-methoxyphenyl]carbamate
SMILESCOc1cc(NC(=O)Oc2ccccc2)ccc1CNS(C)(=O)=O
InChIInChI=1S/C16H18N2O5S/c1-22-15-10-13(9-8-12(15)11-17-24(2,20)21)18-16(19)23-14-6-4-3-5-7-14/h3-10,17H,11H2,1-2H3,(H,18,19)
InChIKeyRMVWNWKAOXOKDI-UHFFFAOYSA-N
XLogP2.36
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 60637496
phenyl N-(3-fluoro-4-methoxyphenyl)carbamate
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phenyl N-(3-methyl-4-phenoxyphenyl)carbamate
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phenyl N-[4-[[3-(2-chlorophenyl)-5-ethoxy-2-oxobenzimidazol-1-yl]methyl]-3-methoxyphenyl]carbamate
CID 54361908
methyl 2-[4-(phenoxycarbonylamino)phenyl]acetate
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ethane;phenyl N-(4-bromo-3-methylphenyl)carbamate
CID 178164704
methyl 2-[(E)-2-[2-methoxysulfonyl-4-(phenoxycarbonylamino)phenyl]ethenyl]-5-(phenoxycarbonylamino)benzenesulfonate
CID 171353983
phenyl N-[3-(methylaminomethyl)phenyl]carbamate
CID 43602480
2-(2,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)acetamide
CID 9403807
(3,5-dimethoxyphenyl) N-phenylcarbamate
CID 23281948
1-[[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methyl]-3-[4-(methanesulfonamidomethyl)-3-methoxyphenyl]urea
CID 70816346

Frequently Asked Questions

What is the IUPAC name of phenyl N-[4-(methanesulfonamidomethyl)-3-methoxyphenyl]carbamate?
The IUPAC name of phenyl N-[4-(methanesulfonamidomethyl)-3-methoxyphenyl]carbamate (CID 86679381) is phenyl N-[4-(methanesulfonamidomethyl)-3-methoxyphenyl]carbamate.
What is the SMILES notation for phenyl N-[4-(methanesulfonamidomethyl)-3-methoxyphenyl]carbamate?
The canonical SMILES for phenyl N-[4-(methanesulfonamidomethyl)-3-methoxyphenyl]carbamate is COc1cc(NC(=O)Oc2ccccc2)ccc1CNS(C)(=O)=O.
What is the InChIKey of phenyl N-[4-(methanesulfonamidomethyl)-3-methoxyphenyl]carbamate?
The InChIKey is RMVWNWKAOXOKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S/c1-22-15-10-13(9-8-12(15)11-17-24(2,20)21)18-16(19)23-14-6-4-3-5-7-14/h3-10,17H,11H2,1-2H3,(H,18,19).
What are the key properties of phenyl N-[4-(methanesulfonamidomethyl)-3-methoxyphenyl]carbamate?
phenyl N-[4-(methanesulfonamidomethyl)-3-methoxyphenyl]carbamate has a molecular weight of 350.40 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[4-(methanesulfonamidomethyl)-3-methoxyphenyl]carbamate is sourced from PubChem (CID 86679381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).