(2R)-N-(cyclohexylmethyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide

C18H28N2O4S — CID 100566093

IUPAC(2R)-N-(cyclohexylmethyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
SMILESC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCC1CCCCC1
InChIInChI=1S/C18H28N2O4S/c1-14(18(21)19-13-15-7-5-4-6-8-15)24-17-11-9-16(10-12-17)20(2)25(3,22)23/h9-12,14-15H,4-8,13H2,1-3H3,(H,19,21)/t14-/m1/s1
InChIKeyIOQFCYFHZCYNPJ-CQSZACIVSA-N
MW368.50 g/mol
LogP2.55
Rot. Bonds7

About (2R)-N-(cyclohexylmethyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide

(2R)-N-(cyclohexylmethyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide (PubChem CID 100566093) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is (2R)-N-(cyclohexylmethyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide.

Molecular Properties

Compound Name(2R)-N-(cyclohexylmethyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
PubChem CID100566093
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC Name(2R)-N-(cyclohexylmethyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
SMILESC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCC1CCCCC1
InChIInChI=1S/C18H28N2O4S/c1-14(18(21)19-13-15-7-5-4-6-8-15)24-17-11-9-16(10-12-17)20(2)25(3,22)23/h9-12,14-15H,4-8,13H2,1-3H3,(H,19,21)/t14-/m1/s1
InChIKeyIOQFCYFHZCYNPJ-CQSZACIVSA-N
XLogP2.55
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(cyclohexylmethyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100566102
(2S)-N-cycloheptyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100677106
(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-propan-2-ylpropanamide
CID 95397516
2-(4-chlorophenoxy)-N-(cyclohexylmethyl)propanamide
CID 133164152
(2S)-N-(cyclohexylmethyl)-2-phenoxypropanamide
CID 95900718
N-methyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 56923083
2-(4-acetylphenoxy)-N-(cyclohexylmethyl)propanamide
CID 4883415
(2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(1-methylpiperidin-4-yl)propanamide
CID 95397525
(2R)-N-(2-tert-butylsulfanylethyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100623528
N-cyclooctyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 133231105
(2R)-N-[2-(4-methoxyphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100768119
(2R)-N-[(2-chlorophenyl)methyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100656988

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(cyclohexylmethyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide?
The IUPAC name of (2R)-N-(cyclohexylmethyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide (CID 100566093) is (2R)-N-(cyclohexylmethyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide.
What is the SMILES notation for (2R)-N-(cyclohexylmethyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide?
The canonical SMILES for (2R)-N-(cyclohexylmethyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide is C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCC1CCCCC1.
What is the InChIKey of (2R)-N-(cyclohexylmethyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide?
The InChIKey is IOQFCYFHZCYNPJ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-14(18(21)19-13-15-7-5-4-6-8-15)24-17-11-9-16(10-12-17)20(2)25(3,22)23/h9-12,14-15H,4-8,13H2,1-3H3,(H,19,21)/t14-/m1/s1.
What are the key properties of (2R)-N-(cyclohexylmethyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide?
(2R)-N-(cyclohexylmethyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide has a molecular weight of 368.50 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(cyclohexylmethyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide is sourced from PubChem (CID 100566093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).