N-(9-ethylcarbazol-3-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide

C25H27N3O4S — CID 133160582

IUPACN-(9-ethylcarbazol-3-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
SMILESCCn1c2ccccc2c2cc(NC(=O)C(C)Oc3ccc(N(C)S(C)(=O)=O)cc3)ccc21
InChIInChI=1S/C25H27N3O4S/c1-5-28-23-9-7-6-8-21(23)22-16-18(10-15-24(22)28)26-25(29)17(2)32-20-13-11-19(12-14-20)27(3)33(4,30)31/h6-17H,5H2,1-4H3,(H,26,29)
InChIKeyIJYWCRHBMADJCC-UHFFFAOYSA-N
MW465.58 g/mol
LogP4.62
Rot. Bonds7

About N-(9-ethylcarbazol-3-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide

N-(9-ethylcarbazol-3-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide (PubChem CID 133160582) has the molecular formula C25H27N3O4S and a molecular weight of 465.58 g/mol. Its IUPAC name is N-(9-ethylcarbazol-3-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide.

Molecular Properties

Compound NameN-(9-ethylcarbazol-3-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
PubChem CID133160582
Molecular FormulaC25H27N3O4S
Molecular Weight465.58 g/mol
Exact Mass465.17
IUPAC NameN-(9-ethylcarbazol-3-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
SMILESCCn1c2ccccc2c2cc(NC(=O)C(C)Oc3ccc(N(C)S(C)(=O)=O)cc3)ccc21
InChIInChI=1S/C25H27N3O4S/c1-5-28-23-9-7-6-8-21(23)22-16-18(10-15-24(22)28)26-25(29)17(2)32-20-13-11-19(12-14-20)27(3)33(4,30)31/h6-17H,5H2,1-4H3,(H,26,29)
InChIKeyIJYWCRHBMADJCC-UHFFFAOYSA-N
XLogP4.62
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(9-ethylcarbazol-3-yl)-2-(4-methylphenoxy)propanamide
CID 1019882
2-(4-bromophenoxy)-N-(9-ethylcarbazol-3-yl)propanamide
CID 18837985
N-dibenzofuran-3-yl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 133234650
(2R)-N-dibenzofuran-3-yl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100553732
(2R)-N-(3,4-dimethylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100576280
N-(3,4-difluorophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 133184624
N-(3-bromophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 133184535
N-(3-methoxyphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 133200135
2-(3,4-difluoro-N-methylsulfonylanilino)-N-(9-ethylcarbazol-3-yl)propanamide
CID 133161286
(2S)-N-(2,6-diethylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100754867
(2R)-N-(3-chloro-4-methylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100670859
(2S)-N-[3-(methoxymethyl)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100562241

Frequently Asked Questions

What is the IUPAC name of N-(9-ethylcarbazol-3-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide?
The IUPAC name of N-(9-ethylcarbazol-3-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide (CID 133160582) is N-(9-ethylcarbazol-3-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide.
What is the SMILES notation for N-(9-ethylcarbazol-3-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide?
The canonical SMILES for N-(9-ethylcarbazol-3-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide is CCn1c2ccccc2c2cc(NC(=O)C(C)Oc3ccc(N(C)S(C)(=O)=O)cc3)ccc21.
What is the InChIKey of N-(9-ethylcarbazol-3-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide?
The InChIKey is IJYWCRHBMADJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4S/c1-5-28-23-9-7-6-8-21(23)22-16-18(10-15-24(22)28)26-25(29)17(2)32-20-13-11-19(12-14-20)27(3)33(4,30)31/h6-17H,5H2,1-4H3,(H,26,29).
What are the key properties of N-(9-ethylcarbazol-3-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide?
N-(9-ethylcarbazol-3-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide has a molecular weight of 465.58 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-ethylcarbazol-3-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide is sourced from PubChem (CID 133160582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).