CID 134802683

C23H26N2O3S2 — CID 134802683

IUPAC—
SMILESCOc1cccc(-c2ccc(CN3CCCC(N[S+](=O)([O-])c4cccs4)C3)cc2)c1
InChIInChI=1S/C23H26N2O3S2/c1-28-22-7-2-5-20(15-22)19-11-9-18(10-12-19)16-25-13-3-6-21(17-25)24-30(26,27)23-8-4-14-29-23/h2,4-5,7-12,14-15,21H,3,6,13,16-17H2,1H3,(H-,24,26,27)
InChIKeyDZUPFDOGQAGYNY-UHFFFAOYSA-N
MW442.61 g/mol
LogP4.58
Rot. Bonds7

About CID 134802683

CID 134802683 (PubChem CID 134802683) has the molecular formula C23H26N2O3S2 and a molecular weight of 442.61 g/mol.

Molecular Properties

Compound NameCID 134802683
PubChem CID134802683
Molecular FormulaC23H26N2O3S2
Molecular Weight442.61 g/mol
Exact Mass442.14
IUPAC Name—
SMILESCOc1cccc(-c2ccc(CN3CCCC(N[S+](=O)([O-])c4cccs4)C3)cc2)c1
InChIInChI=1S/C23H26N2O3S2/c1-28-22-7-2-5-20(15-22)19-11-9-18(10-12-19)16-25-13-3-6-21(17-25)24-30(26,27)23-8-4-14-29-23/h2,4-5,7-12,14-15,21H,3,6,13,16-17H2,1H3,(H-,24,26,27)
InChIKeyDZUPFDOGQAGYNY-UHFFFAOYSA-N
XLogP4.58
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.61
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-N-[(2-methoxy-5-thiophen-3-ylphenyl)methyl]-2-phenylpiperidin-3-amine
CID 10714695
N-(2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(thiophen-2-yl)ethyl)-2,5-dimethoxybenzenesulfonamide
CID 16830247
N-[[4-[4-(butylaminomethyl)phenyl]thiophen-2-yl]methyl]-N-cyclopentyl-4-methoxybenzenesulfonamide
CID 53316699
N1-(3-methoxybenzyl)-N2-(2-(1-(thiophen-2-ylsulfonyl)piperidin-2-yl)ethyl)oxalamide
CID 16829762
CID 134802898
CID 134802898
5-fluoro-2-methoxy-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)-2-(thiophen-2-yl)ethyl]benzene-1-sulfonamide
CID 16812906
4-methoxy-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)-2-(thiophen-2-yl)ethyl]benzene-1-sulfonamide
CID 16823132
N-(2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(thiophen-3-yl)ethyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 16933349
CID 134797383
CID 134797383
CID 134795830
CID 134795830
CID 134796129
CID 134796129
CID 134802126
CID 134802126

Frequently Asked Questions

What is the IUPAC name of CID 134802683?
The IUPAC name of CID 134802683 (CID 134802683) is not available.
What is the SMILES notation for CID 134802683?
The canonical SMILES for CID 134802683 is COc1cccc(-c2ccc(CN3CCCC(N[S+](=O)([O-])c4cccs4)C3)cc2)c1.
What is the InChIKey of CID 134802683?
The InChIKey is DZUPFDOGQAGYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3S2/c1-28-22-7-2-5-20(15-22)19-11-9-18(10-12-19)16-25-13-3-6-21(17-25)24-30(26,27)23-8-4-14-29-23/h2,4-5,7-12,14-15,21H,3,6,13,16-17H2,1H3,(H-,24,26,27).
What are the key properties of CID 134802683?
CID 134802683 has a molecular weight of 442.61 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134802683 is sourced from PubChem (CID 134802683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).