(2S)-N-cycloheptyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide

C18H28N2O4S — CID 100677106

IUPAC(2S)-N-cycloheptyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
SMILESC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NC1CCCCCC1
InChIInChI=1S/C18H28N2O4S/c1-14(18(21)19-15-8-6-4-5-7-9-15)24-17-12-10-16(11-13-17)20(2)25(3,22)23/h10-15H,4-9H2,1-3H3,(H,19,21)/t14-/m0/s1
InChIKeyPSPWXTGLTRYTPG-AWEZNQCLSA-N
MW368.50 g/mol
LogP2.69
Rot. Bonds6

About (2S)-N-cycloheptyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide

(2S)-N-cycloheptyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide (PubChem CID 100677106) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is (2S)-N-cycloheptyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide.

Molecular Properties

Compound Name(2S)-N-cycloheptyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
PubChem CID100677106
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC Name(2S)-N-cycloheptyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
SMILESC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NC1CCCCCC1
InChIInChI=1S/C18H28N2O4S/c1-14(18(21)19-15-8-6-4-5-7-9-15)24-17-12-10-16(11-13-17)20(2)25(3,22)23/h10-15H,4-9H2,1-3H3,(H,19,21)/t14-/m0/s1
InChIKeyPSPWXTGLTRYTPG-AWEZNQCLSA-N
XLogP2.69
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(1-methylpiperidin-4-yl)propanamide
CID 95397525
(2S)-N-(cyclohexylmethyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100566102
(2R)-N-(cyclohexylmethyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100566093
N-cyclooctyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 133231105
N-cycloheptyl-2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]propanamide
CID 17427987
(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-propan-2-ylpropanamide
CID 95397516
N-cyclopentyl-2-(4-methylsulfonylphenoxy)propanamide
CID 51174549
N-methyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 56923083
N-cyclopentyl-2-[4-[(2-fluorophenyl)sulfonyl-methylamino]phenoxy]propanamide
CID 4883359
(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 100687016
(2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 100687007
(2R)-N-cyclohexyl-2-(4-sulfamoylphenoxy)propanamide
CID 93480668

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cycloheptyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide?
The IUPAC name of (2S)-N-cycloheptyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide (CID 100677106) is (2S)-N-cycloheptyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide.
What is the SMILES notation for (2S)-N-cycloheptyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide?
The canonical SMILES for (2S)-N-cycloheptyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide is C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NC1CCCCCC1.
What is the InChIKey of (2S)-N-cycloheptyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide?
The InChIKey is PSPWXTGLTRYTPG-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-14(18(21)19-15-8-6-4-5-7-9-15)24-17-12-10-16(11-13-17)20(2)25(3,22)23/h10-15H,4-9H2,1-3H3,(H,19,21)/t14-/m0/s1.
What are the key properties of (2S)-N-cycloheptyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide?
(2S)-N-cycloheptyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide has a molecular weight of 368.50 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cycloheptyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide is sourced from PubChem (CID 100677106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).