[5-tert-butyl-3-(methanesulfonamido)-2-methoxy-4-phenylphenyl] carbamate

C19H24N2O5S — CID 142800636

IUPAC[5-tert-butyl-3-(methanesulfonamido)-2-methoxy-4-phenylphenyl] carbamate
SMILESCOc1c(OC(N)=O)cc(C(C)(C)C)c(-c2ccccc2)c1NS(C)(=O)=O
InChIInChI=1S/C19H24N2O5S/c1-19(2,3)13-11-14(26-18(20)22)17(25-4)16(21-27(5,23)24)15(13)12-9-7-6-8-10-12/h6-11,21H,1-5H3,(H2,20,22)
InChIKeyBTMGMKLNKYJYNF-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.49
Rot. Bonds5

About [5-tert-butyl-3-(methanesulfonamido)-2-methoxy-4-phenylphenyl] carbamate

[5-tert-butyl-3-(methanesulfonamido)-2-methoxy-4-phenylphenyl] carbamate (PubChem CID 142800636) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is [5-tert-butyl-3-(methanesulfonamido)-2-methoxy-4-phenylphenyl] carbamate.

Molecular Properties

Compound Name[5-tert-butyl-3-(methanesulfonamido)-2-methoxy-4-phenylphenyl] carbamate
PubChem CID142800636
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC Name[5-tert-butyl-3-(methanesulfonamido)-2-methoxy-4-phenylphenyl] carbamate
SMILESCOc1c(OC(N)=O)cc(C(C)(C)C)c(-c2ccccc2)c1NS(C)(=O)=O
InChIInChI=1S/C19H24N2O5S/c1-19(2,3)13-11-14(26-18(20)22)17(25-4)16(21-27(5,23)24)15(13)12-9-7-6-8-10-12/h6-11,21H,1-5H3,(H2,20,22)
InChIKeyBTMGMKLNKYJYNF-UHFFFAOYSA-N
XLogP3.49
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-tert-butyl-3-(methanesulfonamido)-2-methoxy-4-phenylphenyl] carbamate?
The IUPAC name of [5-tert-butyl-3-(methanesulfonamido)-2-methoxy-4-phenylphenyl] carbamate (CID 142800636) is [5-tert-butyl-3-(methanesulfonamido)-2-methoxy-4-phenylphenyl] carbamate.
What is the SMILES notation for [5-tert-butyl-3-(methanesulfonamido)-2-methoxy-4-phenylphenyl] carbamate?
The canonical SMILES for [5-tert-butyl-3-(methanesulfonamido)-2-methoxy-4-phenylphenyl] carbamate is COc1c(OC(N)=O)cc(C(C)(C)C)c(-c2ccccc2)c1NS(C)(=O)=O.
What is the InChIKey of [5-tert-butyl-3-(methanesulfonamido)-2-methoxy-4-phenylphenyl] carbamate?
The InChIKey is BTMGMKLNKYJYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-19(2,3)13-11-14(26-18(20)22)17(25-4)16(21-27(5,23)24)15(13)12-9-7-6-8-10-12/h6-11,21H,1-5H3,(H2,20,22).
What are the key properties of [5-tert-butyl-3-(methanesulfonamido)-2-methoxy-4-phenylphenyl] carbamate?
[5-tert-butyl-3-(methanesulfonamido)-2-methoxy-4-phenylphenyl] carbamate has a molecular weight of 392.48 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-tert-butyl-3-(methanesulfonamido)-2-methoxy-4-phenylphenyl] carbamate is sourced from PubChem (CID 142800636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).