N-[2-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]phenyl]carbamoyl]phenyl]-5-chlorothiophene-2-carboxamide

C26H32ClN3O3SSi — CID 59140524

IUPACN-[2-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]phenyl]carbamoyl]phenyl]-5-chlorothiophene-2-carboxamide
SMILESCC(C)(C)[Si](C)(C)OCCNc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(Cl)s2)cc1
InChIInChI=1S/C26H32ClN3O3SSi/c1-26(2,3)35(4,5)33-17-16-28-18-10-12-19(13-11-18)29-24(31)20-8-6-7-9-21(20)30-25(32)22-14-15-23(27)34-22/h6-15,28H,16-17H2,1-5H3,(H,29,31)(H,30,32)
InChIKeyDAVHVLVKVGSRQN-UHFFFAOYSA-N
MW530.17 g/mol
LogP7.34
Rot. Bonds9

About N-[2-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]phenyl]carbamoyl]phenyl]-5-chlorothiophene-2-carboxamide

N-[2-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]phenyl]carbamoyl]phenyl]-5-chlorothiophene-2-carboxamide (PubChem CID 59140524) has the molecular formula C26H32ClN3O3SSi and a molecular weight of 530.17 g/mol. Its IUPAC name is N-[2-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]phenyl]carbamoyl]phenyl]-5-chlorothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]phenyl]carbamoyl]phenyl]-5-chlorothiophene-2-carboxamide
PubChem CID59140524
Molecular FormulaC26H32ClN3O3SSi
Molecular Weight530.17 g/mol
Exact Mass529.16
IUPAC NameN-[2-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]phenyl]carbamoyl]phenyl]-5-chlorothiophene-2-carboxamide
SMILESCC(C)(C)[Si](C)(C)OCCNc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(Cl)s2)cc1
InChIInChI=1S/C26H32ClN3O3SSi/c1-26(2,3)35(4,5)33-17-16-28-18-10-12-19(13-11-18)29-24(31)20-8-6-7-9-21(20)30-25(32)22-14-15-23(27)34-22/h6-15,28H,16-17H2,1-5H3,(H,29,31)(H,30,32)
InChIKeyDAVHVLVKVGSRQN-UHFFFAOYSA-N
XLogP7.34
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.17
LogP ≤ 57.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]phenyl]carbamoyl]phenyl]-5-chlorothiophene-2-carboxamide 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-[(2S)-3-[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]anilino]-2-hydroxypropyl]-5-chlorothiophene-2-carboxamide
CID 68659043
N-[2-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl-isocyanoamino]phenyl]carbamoyl]-5-chlorophenyl]-5-chlorothiophene-2-carboxamide
CID 59140512
N-[2-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl-cyanoamino]phenyl]carbamoyl]-5-(trifluoromethyl)phenyl]-5-chlorothiophene-2-carboxamide
CID 86637731
N-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl-cyanoamino]phenyl]-2-[(5-chlorothiophene-2-carbonyl)amino]pyridine-3-carboxamide
CID 86637740
4-N-[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]phenyl]-3-N-(4-chlorophenyl)-1-methylpyrrole-3,4-dicarboxamide
CID 69228643
N-[3-[4-[3-[tert-butyl(dimethyl)silyl]oxypropylamino]anilino]-2-hydroxypropyl]-5-chlorothiophene-2-carboxamide
CID 72539287
N-[2-(2-aminoethylcarbamoyl)phenyl]-5-chlorothiophene-2-carboxamide
CID 107000040
5-chloro-N-(2-ethylphenyl)thiophene-2-carboxamide
CID 7750910
6-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 168757198
5-chloro-N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]thiophene-2-carboxamide
CID 55037454
4-[(5-chlorothiophene-2-carbonyl)amino]benzoic acid
CID 43091739
N-[4-(2-methoxyethylamino)phenyl]-2-methylbenzamide
CID 112980901

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]phenyl]carbamoyl]phenyl]-5-chlorothiophene-2-carboxamide?
The IUPAC name of N-[2-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]phenyl]carbamoyl]phenyl]-5-chlorothiophene-2-carboxamide (CID 59140524) is N-[2-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]phenyl]carbamoyl]phenyl]-5-chlorothiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]phenyl]carbamoyl]phenyl]-5-chlorothiophene-2-carboxamide?
The canonical SMILES for N-[2-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]phenyl]carbamoyl]phenyl]-5-chlorothiophene-2-carboxamide is CC(C)(C)[Si](C)(C)OCCNc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(Cl)s2)cc1.
What is the InChIKey of N-[2-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]phenyl]carbamoyl]phenyl]-5-chlorothiophene-2-carboxamide?
The InChIKey is DAVHVLVKVGSRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32ClN3O3SSi/c1-26(2,3)35(4,5)33-17-16-28-18-10-12-19(13-11-18)29-24(31)20-8-6-7-9-21(20)30-25(32)22-14-15-23(27)34-22/h6-15,28H,16-17H2,1-5H3,(H,29,31)(H,30,32).
What are the key properties of N-[2-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]phenyl]carbamoyl]phenyl]-5-chlorothiophene-2-carboxamide?
N-[2-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]phenyl]carbamoyl]phenyl]-5-chlorothiophene-2-carboxamide has a molecular weight of 530.17 g/mol, XLogP of 7.34, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]phenyl]carbamoyl]phenyl]-5-chlorothiophene-2-carboxamide is sourced from PubChem (CID 59140524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).