dimethyl-[3-[[2-oxo-2-[[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]amino]acetyl]amino]propyl]azanium

C19H26N3O4S2+ — CID 9180999

IUPACdimethyl-[3-[[2-oxo-2-[[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]amino]acetyl]amino]propyl]azanium
SMILESC[NH+](C)CCCNC(=O)C(=O)NC[C@@H](c1ccccc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C19H25N3O4S2/c1-22(2)12-7-11-20-18(23)19(24)21-14-16(15-8-4-3-5-9-15)28(25,26)17-10-6-13-27-17/h3-6,8-10,13,16H,7,11-12,14H2,1-2H3,(H,20,23)(H,21,24)/p+1/t16-/m0/s1
InChIKeyTXGGMQJQSXMHMK-INIZCTEOSA-O
MW424.57 g/mol
LogP0.03
Rot. Bonds9

About dimethyl-[3-[[2-oxo-2-[[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]amino]acetyl]amino]propyl]azanium

dimethyl-[3-[[2-oxo-2-[[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]amino]acetyl]amino]propyl]azanium (PubChem CID 9180999) has the molecular formula C19H26N3O4S2+ and a molecular weight of 424.57 g/mol. Its IUPAC name is dimethyl-[3-[[2-oxo-2-[[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]amino]acetyl]amino]propyl]azanium.

Molecular Properties

Compound Namedimethyl-[3-[[2-oxo-2-[[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]amino]acetyl]amino]propyl]azanium
PubChem CID9180999
Molecular FormulaC19H26N3O4S2+
Molecular Weight424.57 g/mol
Exact Mass424.14
IUPAC Namedimethyl-[3-[[2-oxo-2-[[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]amino]acetyl]amino]propyl]azanium
SMILESC[NH+](C)CCCNC(=O)C(=O)NC[C@@H](c1ccccc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C19H25N3O4S2/c1-22(2)12-7-11-20-18(23)19(24)21-14-16(15-8-4-3-5-9-15)28(25,26)17-10-6-13-27-17/h3-6,8-10,13,16H,7,11-12,14H2,1-2H3,(H,20,23)(H,21,24)/p+1/t16-/m0/s1
InChIKeyTXGGMQJQSXMHMK-INIZCTEOSA-O
XLogP0.03
TPSA96.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze dimethyl-[3-[[2-oxo-2-[[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]amino]acetyl]amino]propyl]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

N'-[(2R)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]-N-propyloxamide
CID 9181718
N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzamide
CID 44649043
N-propyl-N'-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)oxamide
CID 22584108
N-[(2S)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]-N'-propan-2-yloxamide
CID 9181738
N'-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-N-(3-phenylpropyl)oxamide
CID 27558122
4-fluoro-N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzamide
CID 44649058
N-(2-methylpropyl)-N'-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]oxamide
CID 9152743
N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-thiophen-2-ylsulfonylethyl]-N-methyloxamide
CID 9159087
2-phenoxy-N-[(2S)-2-phenyl-2-thiophen-2-ylsulfonylethyl]acetamide
CID 9180474
N'-cyclopropyl-N-[(2R)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]oxamide
CID 9181764
N-[(2S)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]acetamide
CID 9181107
N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzamide
CID 44649417

Frequently Asked Questions

What is the IUPAC name of dimethyl-[3-[[2-oxo-2-[[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]amino]acetyl]amino]propyl]azanium?
The IUPAC name of dimethyl-[3-[[2-oxo-2-[[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]amino]acetyl]amino]propyl]azanium (CID 9180999) is dimethyl-[3-[[2-oxo-2-[[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]amino]acetyl]amino]propyl]azanium.
What is the SMILES notation for dimethyl-[3-[[2-oxo-2-[[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]amino]acetyl]amino]propyl]azanium?
The canonical SMILES for dimethyl-[3-[[2-oxo-2-[[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]amino]acetyl]amino]propyl]azanium is C[NH+](C)CCCNC(=O)C(=O)NC[C@@H](c1ccccc1)S(=O)(=O)c1cccs1.
What is the InChIKey of dimethyl-[3-[[2-oxo-2-[[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]amino]acetyl]amino]propyl]azanium?
The InChIKey is TXGGMQJQSXMHMK-INIZCTEOSA-O. The full InChI is InChI=1S/C19H25N3O4S2/c1-22(2)12-7-11-20-18(23)19(24)21-14-16(15-8-4-3-5-9-15)28(25,26)17-10-6-13-27-17/h3-6,8-10,13,16H,7,11-12,14H2,1-2H3,(H,20,23)(H,21,24)/p+1/t16-/m0/s1.
What are the key properties of dimethyl-[3-[[2-oxo-2-[[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]amino]acetyl]amino]propyl]azanium?
dimethyl-[3-[[2-oxo-2-[[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]amino]acetyl]amino]propyl]azanium has a molecular weight of 424.57 g/mol, XLogP of 0.03, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[3-[[2-oxo-2-[[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]amino]acetyl]amino]propyl]azanium is sourced from PubChem (CID 9180999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).