(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(3-morpholin-4-ylpropyl)propanamide

C18H29N3O5S — CID 100521021

IUPAC(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(3-morpholin-4-ylpropyl)propanamide
SMILESC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCCN1CCOCC1
InChIInChI=1S/C18H29N3O5S/c1-15(18(22)19-9-4-10-21-11-13-25-14-12-21)26-17-7-5-16(6-8-17)20(2)27(3,23)24/h5-8,15H,4,9-14H2,1-3H3,(H,19,22)/t15-/m0/s1
InChIKeySLARSWAYVMJCAN-HNNXBMFYSA-N
MW399.51 g/mol
LogP0.69
Rot. Bonds9

About (2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(3-morpholin-4-ylpropyl)propanamide

(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(3-morpholin-4-ylpropyl)propanamide (PubChem CID 100521021) has the molecular formula C18H29N3O5S and a molecular weight of 399.51 g/mol. Its IUPAC name is (2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(3-morpholin-4-ylpropyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(3-morpholin-4-ylpropyl)propanamide
PubChem CID100521021
Molecular FormulaC18H29N3O5S
Molecular Weight399.51 g/mol
Exact Mass399.18
IUPAC Name(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(3-morpholin-4-ylpropyl)propanamide
SMILESC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCCN1CCOCC1
InChIInChI=1S/C18H29N3O5S/c1-15(18(22)19-9-4-10-21-11-13-25-14-12-21)26-17-7-5-16(6-8-17)20(2)27(3,23)24/h5-8,15H,4,9-14H2,1-3H3,(H,19,22)/t15-/m0/s1
InChIKeySLARSWAYVMJCAN-HNNXBMFYSA-N
XLogP0.69
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.51
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-tert-butylphenoxy)-N-(3-morpholin-4-ylpropyl)propanamide
CID 51176280
N-(3-morpholin-4-ylpropyl)-2-(4-phenylphenoxy)propanamide
CID 55628607
N-methyl-N-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]methanesulfonamide
CID 56922571
2-(4-methylphenoxy)-N-(2-morpholin-4-ylethyl)propanamide
CID 51163883
(2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide
CID 100662126
2-(4-chlorophenoxy)-N-(2-morpholin-4-ylethyl)propanamide
CID 51159478
(2R)-2-(4-bromophenoxy)-N-(2-morpholin-4-ylethyl)propanamide
CID 2203701
(2S)-N-(cyclohexylmethyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100566102
(2R)-N-(cyclohexylmethyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100566093
2-methoxy-5-[methyl(methylsulfonyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 30148719
2-(4-chloro-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)propanamide
CID 6492936
N-methyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 56923083

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(3-morpholin-4-ylpropyl)propanamide?
The IUPAC name of (2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(3-morpholin-4-ylpropyl)propanamide (CID 100521021) is (2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(3-morpholin-4-ylpropyl)propanamide.
What is the SMILES notation for (2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(3-morpholin-4-ylpropyl)propanamide?
The canonical SMILES for (2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(3-morpholin-4-ylpropyl)propanamide is C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCCN1CCOCC1.
What is the InChIKey of (2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(3-morpholin-4-ylpropyl)propanamide?
The InChIKey is SLARSWAYVMJCAN-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H29N3O5S/c1-15(18(22)19-9-4-10-21-11-13-25-14-12-21)26-17-7-5-16(6-8-17)20(2)27(3,23)24/h5-8,15H,4,9-14H2,1-3H3,(H,19,22)/t15-/m0/s1.
What are the key properties of (2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(3-morpholin-4-ylpropyl)propanamide?
(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(3-morpholin-4-ylpropyl)propanamide has a molecular weight of 399.51 g/mol, XLogP of 0.69, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(3-morpholin-4-ylpropyl)propanamide is sourced from PubChem (CID 100521021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).