(2S)-2-(methanesulfonamido)-N-[2-(3-methoxy-4-pent-2-ynoxyphenyl)ethyl]propanamide

C18H26N2O5S — CID 11349573

IUPAC(2S)-2-(methanesulfonamido)-N-[2-(3-methoxy-4-pent-2-ynoxyphenyl)ethyl]propanamide
SMILESCCC#CCOc1ccc(CCNC(=O)[C@H](C)NS(C)(=O)=O)cc1OC
InChIInChI=1S/C18H26N2O5S/c1-5-6-7-12-25-16-9-8-15(13-17(16)24-3)10-11-19-18(21)14(2)20-26(4,22)23/h8-9,13-14,20H,5,10-12H2,1-4H3,(H,19,21)/t14-/m0/s1
InChIKeyXQGRUDHUGGVFEM-AWEZNQCLSA-N
MW382.48 g/mol
LogP1.08
Rot. Bonds9

About (2S)-2-(methanesulfonamido)-N-[2-(3-methoxy-4-pent-2-ynoxyphenyl)ethyl]propanamide

(2S)-2-(methanesulfonamido)-N-[2-(3-methoxy-4-pent-2-ynoxyphenyl)ethyl]propanamide (PubChem CID 11349573) has the molecular formula C18H26N2O5S and a molecular weight of 382.48 g/mol. Its IUPAC name is (2S)-2-(methanesulfonamido)-N-[2-(3-methoxy-4-pent-2-ynoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(methanesulfonamido)-N-[2-(3-methoxy-4-pent-2-ynoxyphenyl)ethyl]propanamide
PubChem CID11349573
Molecular FormulaC18H26N2O5S
Molecular Weight382.48 g/mol
Exact Mass382.16
IUPAC Name(2S)-2-(methanesulfonamido)-N-[2-(3-methoxy-4-pent-2-ynoxyphenyl)ethyl]propanamide
SMILESCCC#CCOc1ccc(CCNC(=O)[C@H](C)NS(C)(=O)=O)cc1OC
InChIInChI=1S/C18H26N2O5S/c1-5-6-7-12-25-16-9-8-15(13-17(16)24-3)10-11-19-18(21)14(2)20-26(4,22)23/h8-9,13-14,20H,5,10-12H2,1-4H3,(H,19,21)/t14-/m0/s1
InChIKeyXQGRUDHUGGVFEM-AWEZNQCLSA-N
XLogP1.08
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[2-[(3-methoxy-4-pent-2-ynoxyphenyl)methyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]methanesulfonamide
CID 18442078
N-[2-[4-[3-(4-chlorophenyl)prop-2-ynoxy]-3-methoxyphenyl]ethyl]-2-ethylsulfonyl-3-methylbutanamide
CID 141470644
2-(ethylsulfonylamino)-N-[2-[3-methoxy-4-(3-thiophen-2-ylprop-2-ynoxy)phenyl]ethyl]-3-methylbutanamide
CID 22898924
(2R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(methanesulfonamido)-3,3-dimethylbutanamide
CID 97069976
(2E)-2-(3,4-dichlorophenyl)-N-[2-(3-methoxy-4-pent-2-ynoxyphenyl)ethyl]-2-methylsulfanyliminoacetamide
CID 18405779
2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-propylpropanamide
CID 43087369
2-(ethylsulfonylamino)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 11442156
1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(2-hydroxypropyl)urea
CID 108891611
N-[2-(4-fluorophenyl)ethyl]-2-(methanesulfonamido)propanamide
CID 47403939
(2S)-N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide
CID 33239791
2-(4-chlorophenyl)-N-[2-(3-methoxy-4-pent-2-ynoxyphenyl)ethyl]-2-prop-2-ynoxy-2-sulfanylacetamide
CID 87905922
(2S)-2-ethoxy-3-(4-ethylphenyl)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]propanamide
CID 87499671

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methanesulfonamido)-N-[2-(3-methoxy-4-pent-2-ynoxyphenyl)ethyl]propanamide?
The IUPAC name of (2S)-2-(methanesulfonamido)-N-[2-(3-methoxy-4-pent-2-ynoxyphenyl)ethyl]propanamide (CID 11349573) is (2S)-2-(methanesulfonamido)-N-[2-(3-methoxy-4-pent-2-ynoxyphenyl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-(methanesulfonamido)-N-[2-(3-methoxy-4-pent-2-ynoxyphenyl)ethyl]propanamide?
The canonical SMILES for (2S)-2-(methanesulfonamido)-N-[2-(3-methoxy-4-pent-2-ynoxyphenyl)ethyl]propanamide is CCC#CCOc1ccc(CCNC(=O)[C@H](C)NS(C)(=O)=O)cc1OC.
What is the InChIKey of (2S)-2-(methanesulfonamido)-N-[2-(3-methoxy-4-pent-2-ynoxyphenyl)ethyl]propanamide?
The InChIKey is XQGRUDHUGGVFEM-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H26N2O5S/c1-5-6-7-12-25-16-9-8-15(13-17(16)24-3)10-11-19-18(21)14(2)20-26(4,22)23/h8-9,13-14,20H,5,10-12H2,1-4H3,(H,19,21)/t14-/m0/s1.
What are the key properties of (2S)-2-(methanesulfonamido)-N-[2-(3-methoxy-4-pent-2-ynoxyphenyl)ethyl]propanamide?
(2S)-2-(methanesulfonamido)-N-[2-(3-methoxy-4-pent-2-ynoxyphenyl)ethyl]propanamide has a molecular weight of 382.48 g/mol, XLogP of 1.08, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methanesulfonamido)-N-[2-(3-methoxy-4-pent-2-ynoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 11349573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).