N-[3-[[N-[tert-butyl(dimethyl)silyl]-S-methylsulfonimidoyl]amino]phenyl]-4-phenylthiophene-2-carboxamide

C24H31N3O2S2Si — CID 174102870

IUPACN-[3-[[N-[tert-butyl(dimethyl)silyl]-S-methylsulfonimidoyl]amino]phenyl]-4-phenylthiophene-2-carboxamide
SMILESCC(C)(C)[Si](C)(C)N=S(C)(=O)Nc1cccc(NC(=O)c2cc(-c3ccccc3)cs2)c1
InChIInChI=1S/C24H31N3O2S2Si/c1-24(2,3)32(5,6)27-31(4,29)26-21-14-10-13-20(16-21)25-23(28)22-15-19(17-30-22)18-11-8-7-9-12-18/h7-17H,1-6H3,(H,25,28)(H,26,27,29)
InChIKeyNAFGYOTXVDSMSV-UHFFFAOYSA-N
MW485.75 g/mol
LogP7.10
Rot. Bonds6

About N-[3-[[N-[tert-butyl(dimethyl)silyl]-S-methylsulfonimidoyl]amino]phenyl]-4-phenylthiophene-2-carboxamide

N-[3-[[N-[tert-butyl(dimethyl)silyl]-S-methylsulfonimidoyl]amino]phenyl]-4-phenylthiophene-2-carboxamide (PubChem CID 174102870) has the molecular formula C24H31N3O2S2Si and a molecular weight of 485.75 g/mol. Its IUPAC name is N-[3-[[N-[tert-butyl(dimethyl)silyl]-S-methylsulfonimidoyl]amino]phenyl]-4-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[N-[tert-butyl(dimethyl)silyl]-S-methylsulfonimidoyl]amino]phenyl]-4-phenylthiophene-2-carboxamide
PubChem CID174102870
Molecular FormulaC24H31N3O2S2Si
Molecular Weight485.75 g/mol
Exact Mass485.16
IUPAC NameN-[3-[[N-[tert-butyl(dimethyl)silyl]-S-methylsulfonimidoyl]amino]phenyl]-4-phenylthiophene-2-carboxamide
SMILESCC(C)(C)[Si](C)(C)N=S(C)(=O)Nc1cccc(NC(=O)c2cc(-c3ccccc3)cs2)c1
InChIInChI=1S/C24H31N3O2S2Si/c1-24(2,3)32(5,6)27-31(4,29)26-21-14-10-13-20(16-21)25-23(28)22-15-19(17-30-22)18-11-8-7-9-12-18/h7-17H,1-6H3,(H,25,28)(H,26,27,29)
InChIKeyNAFGYOTXVDSMSV-UHFFFAOYSA-N
XLogP7.10
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.75
LogP ≤ 57.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-iodo-5-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide
CID 169144914
N-[3-formyl-5-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide
CID 169152227
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-phenylthiophene-2-carboxamide
CID 49034810
N-[3-(methanesulfonamido)phenyl]-3-phenylbenzamide
CID 169152254
N-[3-(methylsulfanylamino)phenyl]-4-pyrimidin-5-ylthiophene-2-carboxamide
CID 169152096
N-[3-(methylsulfanylamino)phenyl]-4-pyrimidin-2-ylthiophene-2-carboxamide
CID 169152136
2-[5-[[3-(methylsulfanylamino)phenyl]carbamoyl]thiophen-3-yl]pyridine-4-carboxylic acid
CID 169152346
N-(3-acetamidophenyl)-4-bromothiophene-2-carboxamide
CID 17173176
3-(methanesulfonamido)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 18127523
3-[[4-(dimethylsulfamoyl)thiophene-2-carbonyl]amino]benzoic acid
CID 6503094
N-[3-(methanesulfonamido)phenyl]-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 52907985
N-(3-methylsulfonylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 55415574

Frequently Asked Questions

What is the IUPAC name of N-[3-[[N-[tert-butyl(dimethyl)silyl]-S-methylsulfonimidoyl]amino]phenyl]-4-phenylthiophene-2-carboxamide?
The IUPAC name of N-[3-[[N-[tert-butyl(dimethyl)silyl]-S-methylsulfonimidoyl]amino]phenyl]-4-phenylthiophene-2-carboxamide (CID 174102870) is N-[3-[[N-[tert-butyl(dimethyl)silyl]-S-methylsulfonimidoyl]amino]phenyl]-4-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-[3-[[N-[tert-butyl(dimethyl)silyl]-S-methylsulfonimidoyl]amino]phenyl]-4-phenylthiophene-2-carboxamide?
The canonical SMILES for N-[3-[[N-[tert-butyl(dimethyl)silyl]-S-methylsulfonimidoyl]amino]phenyl]-4-phenylthiophene-2-carboxamide is CC(C)(C)[Si](C)(C)N=S(C)(=O)Nc1cccc(NC(=O)c2cc(-c3ccccc3)cs2)c1.
What is the InChIKey of N-[3-[[N-[tert-butyl(dimethyl)silyl]-S-methylsulfonimidoyl]amino]phenyl]-4-phenylthiophene-2-carboxamide?
The InChIKey is NAFGYOTXVDSMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2S2Si/c1-24(2,3)32(5,6)27-31(4,29)26-21-14-10-13-20(16-21)25-23(28)22-15-19(17-30-22)18-11-8-7-9-12-18/h7-17H,1-6H3,(H,25,28)(H,26,27,29).
What are the key properties of N-[3-[[N-[tert-butyl(dimethyl)silyl]-S-methylsulfonimidoyl]amino]phenyl]-4-phenylthiophene-2-carboxamide?
N-[3-[[N-[tert-butyl(dimethyl)silyl]-S-methylsulfonimidoyl]amino]phenyl]-4-phenylthiophene-2-carboxamide has a molecular weight of 485.75 g/mol, XLogP of 7.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[N-[tert-butyl(dimethyl)silyl]-S-methylsulfonimidoyl]amino]phenyl]-4-phenylthiophene-2-carboxamide is sourced from PubChem (CID 174102870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).