methyl-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]-[2-oxo-2-(propylamino)ethyl]azanium

C19H26N3O2S+ — CID 8790275

IUPACmethyl-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]-[2-oxo-2-(propylamino)ethyl]azanium
SMILESCCCNC(=O)C[NH+](C)CC(=O)N[C@@H](c1ccccc1)c1cccs1
InChIInChI=1S/C19H25N3O2S/c1-3-11-20-17(23)13-22(2)14-18(24)21-19(16-10-7-12-25-16)15-8-5-4-6-9-15/h4-10,12,19H,3,11,13-14H2,1-2H3,(H,20,23)(H,21,24)/p+1/t19-/m0/s1
InChIKeyHNXZQQNBVSFEMI-IBGZPJMESA-O
MW360.50 g/mol
LogP0.99
Rot. Bonds9

About methyl-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]-[2-oxo-2-(propylamino)ethyl]azanium

methyl-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]-[2-oxo-2-(propylamino)ethyl]azanium (PubChem CID 8790275) has the molecular formula C19H26N3O2S+ and a molecular weight of 360.50 g/mol. Its IUPAC name is methyl-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]-[2-oxo-2-(propylamino)ethyl]azanium.

Molecular Properties

Compound Namemethyl-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]-[2-oxo-2-(propylamino)ethyl]azanium
PubChem CID8790275
Molecular FormulaC19H26N3O2S+
Molecular Weight360.50 g/mol
Exact Mass360.17
IUPAC Namemethyl-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]-[2-oxo-2-(propylamino)ethyl]azanium
SMILESCCCNC(=O)C[NH+](C)CC(=O)N[C@@H](c1ccccc1)c1cccs1
InChIInChI=1S/C19H25N3O2S/c1-3-11-20-17(23)13-22(2)14-18(24)21-19(16-10-7-12-25-16)15-8-5-4-6-9-15/h4-10,12,19H,3,11,13-14H2,1-2H3,(H,20,23)(H,21,24)/p+1/t19-/m0/s1
InChIKeyHNXZQQNBVSFEMI-IBGZPJMESA-O
XLogP0.99
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze methyl-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]-[2-oxo-2-(propylamino)ethyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(dimethylamino)-2-oxoethyl]-methyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium
CID 8695217
2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]-N-propylacetamide
CID 8862800
[2-(3-fluoroanilino)-2-oxoethyl]-methyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium
CID 8847189
[2-(tert-butylamino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium
CID 8794366
(3-methoxyphenyl)methyl-methyl-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium
CID 8789153
N-[(S)-phenyl(thiophen-2-yl)methyl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8866543
2-ethoxy-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 60682552
N-[(R)-phenyl(thiophen-2-yl)methyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 8627160
2-[[5-[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide
CID 46825279
(2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium
CID 8805898
(2,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium
CID 8845954
[2-(benzhydrylamino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9048967

Frequently Asked Questions

What is the IUPAC name of methyl-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]-[2-oxo-2-(propylamino)ethyl]azanium?
The IUPAC name of methyl-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]-[2-oxo-2-(propylamino)ethyl]azanium (CID 8790275) is methyl-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]-[2-oxo-2-(propylamino)ethyl]azanium.
What is the SMILES notation for methyl-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]-[2-oxo-2-(propylamino)ethyl]azanium?
The canonical SMILES for methyl-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]-[2-oxo-2-(propylamino)ethyl]azanium is CCCNC(=O)C[NH+](C)CC(=O)N[C@@H](c1ccccc1)c1cccs1.
What is the InChIKey of methyl-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]-[2-oxo-2-(propylamino)ethyl]azanium?
The InChIKey is HNXZQQNBVSFEMI-IBGZPJMESA-O. The full InChI is InChI=1S/C19H25N3O2S/c1-3-11-20-17(23)13-22(2)14-18(24)21-19(16-10-7-12-25-16)15-8-5-4-6-9-15/h4-10,12,19H,3,11,13-14H2,1-2H3,(H,20,23)(H,21,24)/p+1/t19-/m0/s1.
What are the key properties of methyl-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]-[2-oxo-2-(propylamino)ethyl]azanium?
methyl-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]-[2-oxo-2-(propylamino)ethyl]azanium has a molecular weight of 360.50 g/mol, XLogP of 0.99, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]-[2-oxo-2-(propylamino)ethyl]azanium is sourced from PubChem (CID 8790275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).