N-[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]methanesulfonamide

C18H21NO4S — CID 21486683

IUPACN-[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]methanesulfonamide
SMILESCC(C)(C)Oc1ccc(C(=O)c2ccc(NS(C)(=O)=O)cc2)cc1
InChIInChI=1S/C18H21NO4S/c1-18(2,3)23-16-11-7-14(8-12-16)17(20)13-5-9-15(10-6-13)19-24(4,21)22/h5-12,19H,1-4H3
InChIKeyUSOWICWBZNFEHO-UHFFFAOYSA-N
MW347.44 g/mol
LogP3.47
Rot. Bonds5

About N-[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]methanesulfonamide

N-[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]methanesulfonamide (PubChem CID 21486683) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]methanesulfonamide
PubChem CID21486683
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC NameN-[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]methanesulfonamide
SMILESCC(C)(C)Oc1ccc(C(=O)c2ccc(NS(C)(=O)=O)cc2)cc1
InChIInChI=1S/C18H21NO4S/c1-18(2,3)23-16-11-7-14(8-12-16)17(20)13-5-9-15(10-6-13)19-24(4,21)22/h5-12,19H,1-4H3
InChIKeyUSOWICWBZNFEHO-UHFFFAOYSA-N
XLogP3.47
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2,2-dimethylpropanoyl)phenyl]methanesulfonamide
CID 43161143
[4-(2-methoxypropan-2-yl)phenyl]-[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]methanone
CID 145003401
N-[4-(4-methylsulfanylbenzoyl)phenyl]methanesulfonamide
CID 79212173
[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]-(4-propan-2-ylphenyl)methanone
CID 145003434
[4-(dimethylamino)phenyl]-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone
CID 146005383
(3,4-difluorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone
CID 146005344
(4-tert-butylphenyl)-[4-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]phenoxy]benzoyl]phenyl]methanone
CID 162436505
N-[4-(2-chlorobenzoyl)phenyl]methanesulfonamide
CID 43339036
N-[4-(4-amino-3-chlorobenzoyl)phenyl]methanesulfonamide
CID 82779073
methyl N-[4-[(2-methylpropan-2-yl)oxy]phenyl]carbamate
CID 67274992
[4-[(2-methylpropan-2-yl)oxy]phenyl]-(2,4,6-trimethylphenyl)methanone
CID 141016400
N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methanesulfonamide
CID 58195079

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]methanesulfonamide (CID 21486683) is N-[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]methanesulfonamide is CC(C)(C)Oc1ccc(C(=O)c2ccc(NS(C)(=O)=O)cc2)cc1.
What is the InChIKey of N-[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]methanesulfonamide?
The InChIKey is USOWICWBZNFEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-18(2,3)23-16-11-7-14(8-12-16)17(20)13-5-9-15(10-6-13)19-24(4,21)22/h5-12,19H,1-4H3.
What are the key properties of N-[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]methanesulfonamide?
N-[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]methanesulfonamide has a molecular weight of 347.44 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]methanesulfonamide is sourced from PubChem (CID 21486683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).